8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride

C265H310Cl6F11N35O42S3 — CID 157076369

About 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride

8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride (PubChem CID 157076369) has the molecular formula C265H310Cl6F11N35O42S3 and a molecular weight of 5175.50 g/mol. Its IUPAC name is 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride.

Molecular Properties

• Compound Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride
• PubChem CID: 157076369
• Molecular Formula: C265H310Cl6F11N35O42S3
• Molecular Weight: 5175.50 g/mol
• Exact Mass: 5169.03
• IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride
• SMILES: CC#CCN1C(N2CCCC(N)C2)=NC2C1C(=O)N(Cc1nc(C)c3ccccc3n1)C(=O)N2C.CC(=O)C[C@@H](CS)C(=O)O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-].CC(C[N+](C)(C)C)OC(N)=O.CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CCNC2)cc1.CCOCCN1CCc2c(C)c(CS(N)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21.COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)ccc1F.COC(=O)N(CC(=O)O)Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1.COc1ccc(CN2CCN(CCOC(=O)NCCc3ccccc3)CC2)c(OC)c1OC.C[C@@H]1N=C(c2ccc(=O)n(C(F)F)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1.C[N+](C)(C)CCO.Clc1ccc(C23CNCC2C3)cc1Cl.Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O.O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1.[Cl-]
• InChI: InChI=1S/C39H37F6N3O2.C25H30N8O2.C25H35N3O5.C25H35N3O2.C22H20ClFN2O6.C22H21ClN2O6.C21H16F4N4O.C20H17N3O4S.C20H33N3O4S.C17H15ClO4.C11H11Cl2N.C7H16N2O2.C6H10O3S.C5H14NO.ClH/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45;1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20;1-30-22-10-9-21(23(31-2)24(22)32-3)19-28-15-13-27(14-16-28)17-18-33-25(29)26-12-11-20-7-5-4-6-8-20;1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3;1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2;1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2;1-12-21(14-3-6-16(22)7-4-14,15-5-8-17(23)26-10-15)28-19(27-12)13-2-9-18(30)29(11-13)20(24)25;1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16;1-7-27-11-10-23-9-8-15-13(2)16(12-28(21,25)26)14(3)17(18(15)23)22-19(24)20(4,5)6;1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11;1-6(11-7(8)10)5-9(2,3)4;1-4(7)2-5(3-10)6(8)9;1-6(2,3)4-5-7;/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49);6-7,10-11,17,21-22H,8-9,12-15,26H2,1-3H3;4-10H,11-19H2,1-3H3,(H,26,29);6-13,23,26H,4-5,14-19H2,1-3H3;3-9H,10-12H2,1-2H3,(H,27,28);3-10H,11-13H2,1-2H3,(H,26,27);2-12,20H,1H3,(H,27,28);2-9,16H,10-11H2,1H3,(H,22,24,26);7-12H2,1-6H3,(H,22,24)(H2,21,25,26);3-10H,1-2H3,(H,20,21);1-3,8,14H,4-6H2;6H,5H2,1-4H3,(H-,8,10);5,10H,2-3H2,1H3,(H,8,9);7H,4-5H2,1-3H3;1H/q;;;;;;;;;;;;;+1;/p-1/t;;;23-;;;12-,21-;;;;;;5-;;/m...1..0.....0../s1
• InChIKey: VTEASHIYUFOSIM-NWUMOXSASA-M
• XLogP: 36.39
• TPSA: 950.89 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 62
• Rotatable Bonds: 81
• Heavy Atoms: 362
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5175.50
LogP ≤ 5	36.39
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	62

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride?

The IUPAC name of 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride (CID 157076369) is 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride.

What is the SMILES notation for 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride?

The canonical SMILES for 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride is CC#CCN1C(N2CCCC(N)C2)=NC2C1C(=O)N(Cc1nc(C)c3ccccc3n1)C(=O)N2C.CC(=O)C[C@@H](CS)C(=O)O.CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-].CC(C[N+](C)(C)C)OC(N)=O.CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CCNC2)cc1.CCOCCN1CCc2c(C)c(CS(N)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21.COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)ccc1F.COC(=O)N(CC(=O)O)Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1.COc1ccc(CN2CCN(CCOC(=O)NCCc3ccccc3)CC2)c(OC)c1OC.C[C@@H]1N=C(c2ccc(=O)n(C(F)F)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1.C[N+](C)(C)CCO.Clc1ccc(C23CNCC2C3)cc1Cl.Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O.O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1.[Cl-].

What is the InChIKey of 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride?

The InChIKey is VTEASHIYUFOSIM-NWUMOXSASA-M. The full InChI is InChI=1S/C39H37F6N3O2.C25H30N8O2.C25H35N3O5.C25H35N3O2.C22H20ClFN2O6.C22H21ClN2O6.C21H16F4N4O.C20H17N3O4S.C20H33N3O4S.C17H15ClO4.C11H11Cl2N.C7H16N2O2.C6H10O3S.C5H14NO.ClH/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45;1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20;1-30-22-10-9-21(23(31-2)24(22)32-3)19-28-15-13-27(14-16-28)17-18-33-25(29)26-12-11-20-7-5-4-6-8-20;1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3;1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2;1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2;1-12-21(14-3-6-16(22)7-4-14,15-5-8-17(23)26-10-15)28-19(27-12)13-2-9-18(30)29(11-13)20(24)25;1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16;1-7-27-11-10-23-9-8-15-13(2)16(12-28(21,25)26)14(3)17(18(15)23)22-19(24)20(4,5)6;1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11;1-6(11-7(8)10)5-9(2,3)4;1-4(7)2-5(3-10)6(8)9;1-6(2,3)4-5-7;/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49);6-7,10-11,17,21-22H,8-9,12-15,26H2,1-3H3;4-10H,11-19H2,1-3H3,(H,26,29);6-13,23,26H,4-5,14-19H2,1-3H3;3-9H,10-12H2,1-2H3,(H,27,28);3-10H,11-13H2,1-2H3,(H,26,27);2-12,20H,1H3,(H,27,28);2-9,16H,10-11H2,1H3,(H,22,24,26);7-12H2,1-6H3,(H,22,24)(H2,21,25,26);3-10H,1-2H3,(H,20,21);1-3,8,14H,4-6H2;6H,5H2,1-4H3,(H-,8,10);5,10H,2-3H2,1H3,(H,8,9);7H,4-5H2,1-3H3;1H/q;;;;;;;;;;;;;+1;/p-1/t;;;23-;;;12-,21-;;;;;;5-;;/m...1..0.....0../s1.

What are the key properties of 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride?

8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride has a molecular weight of 5175.50 g/mol, XLogP of 36.39, 81 rotatable bonds, 16 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-4,5-dihydropurine-2,6-dione;2-carbamoyloxypropyl(trimethyl)azanium;2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate;2-[[5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-fluorophenyl]methyl-methoxycarbonylamino]acetic acid;2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid;1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one;N-[1-(2-ethoxyethyl)-4,6-dimethyl-5-(sulfamoylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide;2-hydroxyethyl(trimethyl)azanium;5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(2R)-4-oxo-2-(sulfanylmethyl)pentanoic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide;2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2-phenylethyl)carbamate;chloride is sourced from PubChem (CID 157076369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).