Query_ID : 763 FORMULA : C47H57N7O11 WEIGHT : 896 NAME : N~1~-(1-benzyl-2-oxo-2-((2,6,9,10-tetramethyl-5,8,11,16,20-pentaoxohexadecahydro-1H,5H,16H-dipyrrolo[2,1-c:2,1-l][1,4,7,10,13]oxatetraazacyclohexadecin-17-yl)amino)ethyl)-N~12~-(2-hydroxy-5-oxo-1-cycl SMILES : CC1CC2N(C1)C(=O)C(C)NC(=O)C(C)N(C)C(=O)C3CCCN3C(=O)C(COC2=O)NC(=O)C(Cc4ccccc4)NC(=O)C=CC=CC=CC=CC=CC(=O)NC5=C(O)CCC5=O ACTIVITY : Moderate *********************************************************************************************************************** RESULTS *********************************************************************************************************************** Result_ID: 1389 FORMULA : C90H151N15O21S WEIGHT : 1811.32 NAME : tetrahydro-3-furanyl SMILES : CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)COc2ccc(CC(NC(=O)OC3CCOC3)C(O)CN(CC(C)C)S(=O)(=O)c4ccc(N)cc4)cc2)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O)C(C)C ACTIVITY : Active ----------------------------------------------------------------------------------------------------------------------- Result_ID: 1295 FORMULA : C25H30N2O3Se WEIGHT : 485.48 NAME : 6-(3,5-dimethylbenzyl)-5-ethyl-1-((3-(phenylseleno)propoxy)methyl)-2,4(1H,3H)-pyrimidinedione SMILES : CCC1=C(Cc2cc(C)cc(C)c2)N(COCCC[Se]c3ccccc3)C(=O)NC1=O ACTIVITY : Active ----------------------------------------------------------------------------------------------------------------------- Result_ID: 28926 FORMULA : C21H28F3NO5 WEIGHT : 431.45 NAME : 2,2,2-trifluoro-N-(4-hydroxy-3-methoxybenzyl)-N-(10-undecenoyloxy)acetamide SMILES : COc1cc(CN(OC(=O)CCCCCCCCC=C)C(=O)C(F)(F)F)ccc1O ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 16556 FORMULA : C29H36Cl2O6 WEIGHT : 551.5 NAME : No Name SMILES : CCCCCCCCCC=C(c1cc(Cl)c(OC)c(c1)C(=O)OC)c2cc(Cl)c(OC)c(c2)C(=O)OC ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 20655 FORMULA : C29H36Br2O6 WEIGHT : 640.4 NAME : No Name SMILES : CCCCCCCCCC=C(c1cc(Br)c(OC)c(c1)C(=O)OC)c2cc(Br)c(OC)c(c2)C(=O)OC ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 1380 FORMULA : C61H72Cl2O10 WEIGHT : 1036.12 NAME : No Name SMILES : CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(cc6)C(O)=O)c(c5)C(O)=O)c7cc(Cl)c(OCc8ccc(cc8)C(O)=O)c(c7)C(O)=O)CCC4(C)C3CCC12C ACTIVITY : Active ----------------------------------------------------------------------------------------------------------------------- Result_ID: 36218 FORMULA : C57H74N4O12 WEIGHT : 1007.22 NAME : tert-butyl SMILES : CC(C)(C)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCC(CN(CC(=O)OCc1ccccc1)CC(=O)OCc2ccccc2)N(CC(=O)OCc3ccccc3)CC(=O)OCc4ccccc4 ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 821 FORMULA : C18H30BrN5O5 WEIGHT : 476.37 NAME : Thymidine, SMILES : CCCCCCCCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br ACTIVITY : Active ----------------------------------------------------------------------------------------------------------------------- Result_ID: 1476 FORMULA : C41H70N7O16P2 WEIGHT : 978.98 NAME : No Name SMILES : CCCCCCCCCCCCCCCCCCOC(COP(O)(=O)OCC1OC(CC1N=N=N)N2C=C(C)C(=O)NC2=O)COP(O)(=O)OC3CC(OC3CO)N4C=C(C)C(=O)NC4=O ACTIVITY : Active ----------------------------------------------------------------------------------------------------------------------- Result_ID: 16993 FORMULA : C26H42FN3O8 WEIGHT : 543.63 NAME : No Name SMILES : CCCCCCCC(=O)OCC1OC(C(N)C(OC(=O)CCCCCCC)C1O)N2C=C(F)C(=O)NC2=O ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 35126 FORMULA : C30H36N6O4 WEIGHT : 544.64 NAME : 2,6-bis(6-isocyanatohexyl)-3,7-diphenyltetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione SMILES : O=C=NCCCCCCN1C(N2N(C(N(CCCCCCN=C=O)C2=O)c3ccccc3)C1=O)c4ccccc4 ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 830 FORMULA : C21H32BrN5O5 WEIGHT : 514.41 NAME : Thymidine, SMILES : CC1=CN(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCBr)O2)C(=O)NC1=O ACTIVITY : Active ----------------------------------------------------------------------------------------------------------------------- Result_ID: 788 FORMULA : C21H32N8O5 WEIGHT : 476.53 NAME : Thymidine, SMILES : CC1=CN(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCN=[N+]=[N-])O2)C(=O)NC1=O ACTIVITY : Active ----------------------------------------------------------------------------------------------------------------------- Result_ID: 8565 FORMULA : C34H48N2O3 WEIGHT : 532.76 NAME : No Name SMILES : CCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)C13Oc4c(cccc4[N+]([O-])=O)C=C3 ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 19982 FORMULA : C28H50O9 WEIGHT : 530.69 NAME : hexadecyl SMILES : CCCCCCCCCCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 21368 FORMULA : C26H48ClN3O8 WEIGHT : 566.13 NAME : methyl SMILES : CCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=O ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 19983 FORMULA : C28H50O9 WEIGHT : 530.69 NAME : hexadecyl SMILES : CCCCCCCCCCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 705 FORMULA : C33H41N5O6S2 WEIGHT : 667.84 NAME : N-(tert-butyl)-3-(2-hydroxy-3-((2-(((5-isoquinolinyloxy)acetyl)amino)-3-(methylthio)propanoyl)amino)-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide SMILES : CSCC(NC(=O)COc1cccc2cnccc12)C(=O)NC(Cc3ccccc3)C(O)C(=O)N4CSCC4C(=O)NC(C)(C)C ACTIVITY : Active ----------------------------------------------------------------------------------------------------------------------- Result_ID: 568 FORMULA : C30H39N5O7 WEIGHT : 581.66 NAME : 3'-Azido-2', SMILES : CC1=CN(C2CC(N=[N+]=[N-])C(COC(=O)C3CCC4C5CCC6=CC(=O)CCC6(C)C5C(O)CC34C)O2)C(=O)NC1=O ACTIVITY : Active ----------------------------------------------------------------------------------------------------------------------- Result_ID: 26317 FORMULA : C46H55N7O11 WEIGHT : 881.97 NAME : N~1~-(1-benzyl-2-oxo-2-((6,9,10-trimethyl-5,8,11,16,20-pentaoxohexadecahydro-1H,5H,16H-dipyrrolo[2,1-c:2,1-l][1,4,7,10,13]oxatetraazacyclohexadecin-17-yl)amino)ethyl)-N~12~-(2-hydroxy-5-oxo-1-cyclopen SMILES : CC1NC(=O)C(C)N(C)C(=O)C2CCCN2C(=O)C(COC(=O)C3CCCN3C1=O)NC(=O)C(Cc4ccccc4)NC(=O)C=CC=CC=CC=CC=CC(=O)NC5=C(O)CCC5=O ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 16039 FORMULA : C55H66N10O14S2 WEIGHT : 1155.3 NAME : No Name SMILES : CC(C)SC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C3(CC3C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C4(CC4C)N(C)C2=O)NC(=O)c5nc6ccccc6cc5O)NC(=O)c7nc8ccccc8cc7O ACTIVITY : Inactive ----------------------------------------------------------------------------------------------------------------------- Result_ID: 16038 FORMULA : C53H62N10O14S2 WEIGHT : 1127.25 NAME : No Name SMILES : CSC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C3(CC3C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C4(CC4C)N(C)C2=O)NC(=O)c5nc6ccccc6cc5O)NC(=O)c7nc8ccccc8cc7O ACTIVITY : Inactive