4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

C185H186N24O34S — CID 161377815

IUPAC4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
SMILESCc1ncn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)c1C.NC(=O)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)nn1.NC(=O)c1cnnn1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.O=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)no4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4cccc(CN5CCC(c6ccccc6)CC5)c4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4nc5cc(CN6CCOCC6)ccc5s4)cccc3C2=O)C(=O)C1.O=C1CC[C@@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)C1
InChIInChI=1S/C33H34N2O4.C27H27N3O5S.C27H27N3O4.C26H28N2O5.2C25H23N5O5.C22H24N4O6/c36-27-12-13-30(31(37)19-27)35-21-29-28(33(35)38)10-5-11-32(29)39-22-24-7-4-6-23(18-24)20-34-16-14-26(15-17-34)25-8-2-1-3-9-25;31-18-5-6-22(23(32)13-18)30-15-20-19(27(30)33)2-1-3-24(20)35-16-26-28-21-12-17(4-7-25(21)36-26)14-29-8-10-34-11-9-29;1-17-18(2)29(16-28-17)13-19-6-8-20(9-7-19)15-34-26-5-3-4-22-23(26)14-30(27(22)33)24-11-10-21(31)12-25(24)32;29-20-8-9-23(24(30)14-20)28-16-22-21(26(28)31)2-1-3-25(22)33-17-19-6-4-18(5-7-19)15-27-10-12-32-13-11-27;26-24(33)21-11-27-28-30(21)12-15-4-6-16(7-5-15)14-35-23-3-1-2-18-19(23)13-29(25(18)34)20-9-8-17(31)10-22(20)32;26-24(33)20-13-29(28-27-20)11-15-4-6-16(7-5-15)14-35-23-3-1-2-18-19(23)12-30(25(18)34)21-9-8-17(31)10-22(21)32;27-20-5-4-18(21(28)23-20)26-12-17-16(22(26)29)2-1-3-19(17)31-13-15-10-14(24-32-15)11-25-6-8-30-9-7-25/h1-11,18,26,30H,12-17,19-22H2;1-4,7,12,22H,5-6,8-11,13-16H2;3-9,16,24H,10-15H2,1-2H3;1-7,23H,8-17H2;1-7,11,20H,8-10,12-14H2,(H2,26,33);1-7,13,21H,8-12,14H2,(H2,26,33);1-3,10,18H,4-9,11-13H2,(H,23,27,28)/t;;;23-;;;/m...1.../s1
InChIKeyVRHPWIOCOCLWMC-ZMDKYRGUSA-N
MW3321.72 g/mol
LogP19.31
Rot. Bonds45

About 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 161377815) has the molecular formula C185H186N24O34S and a molecular weight of 3321.72 g/mol. Its IUPAC name is 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
PubChem CID161377815
Molecular FormulaC185H186N24O34S
Molecular Weight3321.72 g/mol
Exact Mass3319.33
IUPAC Name4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
SMILESCc1ncn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)c1C.NC(=O)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)nn1.NC(=O)c1cnnn1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.O=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)no4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4cccc(CN5CCC(c6ccccc6)CC5)c4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4nc5cc(CN6CCOCC6)ccc5s4)cccc3C2=O)C(=O)C1.O=C1CC[C@@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)C1
InChIInChI=1S/C33H34N2O4.C27H27N3O5S.C27H27N3O4.C26H28N2O5.2C25H23N5O5.C22H24N4O6/c36-27-12-13-30(31(37)19-27)35-21-29-28(33(35)38)10-5-11-32(29)39-22-24-7-4-6-23(18-24)20-34-16-14-26(15-17-34)25-8-2-1-3-9-25;31-18-5-6-22(23(32)13-18)30-15-20-19(27(30)33)2-1-3-24(20)35-16-26-28-21-12-17(4-7-25(21)36-26)14-29-8-10-34-11-9-29;1-17-18(2)29(16-28-17)13-19-6-8-20(9-7-19)15-34-26-5-3-4-22-23(26)14-30(27(22)33)24-11-10-21(31)12-25(24)32;29-20-8-9-23(24(30)14-20)28-16-22-21(26(28)31)2-1-3-25(22)33-17-19-6-4-18(5-7-19)15-27-10-12-32-13-11-27;26-24(33)21-11-27-28-30(21)12-15-4-6-16(7-5-15)14-35-23-3-1-2-18-19(23)13-29(25(18)34)20-9-8-17(31)10-22(20)32;26-24(33)20-13-29(28-27-20)11-15-4-6-16(7-5-15)14-35-23-3-1-2-18-19(23)12-30(25(18)34)21-9-8-17(31)10-22(21)32;27-20-5-4-18(21(28)23-20)26-12-17-16(22(26)29)2-1-3-19(17)31-13-15-10-14(24-32-15)11-25-6-8-30-9-7-25/h1-11,18,26,30H,12-17,19-22H2;1-4,7,12,22H,5-6,8-11,13-16H2;3-9,16,24H,10-15H2,1-2H3;1-7,23H,8-17H2;1-7,11,20H,8-10,12-14H2,(H2,26,33);1-7,13,21H,8-12,14H2,(H2,26,33);1-3,10,18H,4-9,11-13H2,(H,23,27,28)/t;;;23-;;;/m...1.../s1
InChIKeyVRHPWIOCOCLWMC-ZMDKYRGUSA-N
XLogP19.31
TPSA702.78 Ų
H-Bond Donors3
H-Bond Acceptors49
Rotatable Bonds45
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003321.72
LogP ≤ 519.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
The IUPAC name of 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 161377815) is 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.
What is the SMILES notation for 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
The canonical SMILES for 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is Cc1ncn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)c1C.NC(=O)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)nn1.NC(=O)c1cnnn1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.O=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)no4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4cccc(CN5CCC(c6ccccc6)CC5)c4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4nc5cc(CN6CCOCC6)ccc5s4)cccc3C2=O)C(=O)C1.O=C1CC[C@@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)C1.
What is the InChIKey of 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
The InChIKey is VRHPWIOCOCLWMC-ZMDKYRGUSA-N. The full InChI is InChI=1S/C33H34N2O4.C27H27N3O5S.C27H27N3O4.C26H28N2O5.2C25H23N5O5.C22H24N4O6/c36-27-12-13-30(31(37)19-27)35-21-29-28(33(35)38)10-5-11-32(29)39-22-24-7-4-6-23(18-24)20-34-16-14-26(15-17-34)25-8-2-1-3-9-25;31-18-5-6-22(23(32)13-18)30-15-20-19(27(30)33)2-1-3-24(20)35-16-26-28-21-12-17(4-7-25(21)36-26)14-29-8-10-34-11-9-29;1-17-18(2)29(16-28-17)13-19-6-8-20(9-7-19)15-34-26-5-3-4-22-23(26)14-30(27(22)33)24-11-10-21(31)12-25(24)32;29-20-8-9-23(24(30)14-20)28-16-22-21(26(28)31)2-1-3-25(22)33-17-19-6-4-18(5-7-19)15-27-10-12-32-13-11-27;26-24(33)21-11-27-28-30(21)12-15-4-6-16(7-5-15)14-35-23-3-1-2-18-19(23)13-29(25(18)34)20-9-8-17(31)10-22(20)32;26-24(33)20-13-29(28-27-20)11-15-4-6-16(7-5-15)14-35-23-3-1-2-18-19(23)12-30(25(18)34)21-9-8-17(31)10-22(21)32;27-20-5-4-18(21(28)23-20)26-12-17-16(22(26)29)2-1-3-19(17)31-13-15-10-14(24-32-15)11-25-6-8-30-9-7-25/h1-11,18,26,30H,12-17,19-22H2;1-4,7,12,22H,5-6,8-11,13-16H2;3-9,16,24H,10-15H2,1-2H3;1-7,23H,8-17H2;1-7,11,20H,8-10,12-14H2,(H2,26,33);1-7,13,21H,8-12,14H2,(H2,26,33);1-3,10,18H,4-9,11-13H2,(H,23,27,28)/t;;;23-;;;/m...1.../s1.
What are the key properties of 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 3321.72 g/mol, XLogP of 19.31, 45 rotatable bonds, 3 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 161377815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).