5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride

C123H149ClF6N22O15S11 — CID 159186301

IUPAC5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride
SMILESC=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)NCCOCCOCCOCCOCCC(=O)Nc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(C)(=O)=O)CC4)c3c2)N1.Cc1nnc(CCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)s1.Cc1nnc(CCc2ccc3c(-c4cccc(C(N)=S)n4)cn(C4CCN(S(=O)(=O)C(C)C)CC4)c3c2)s1.Cl.NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CCC(=O)C4CNC4)ccc23)c1
InChIInChI=1S/C43H61N7O8S3.C27H29F3N4O3S2.C27H32N6O2S3.C26H26F3N5O2S3.ClH/c1-30-46-37-29-60-39(42(37)47-30)8-3-4-9-40(51)45-15-19-56-21-23-58-25-24-57-22-20-55-18-14-41(52)48-33-10-11-35-36(31-6-5-7-32(26-31)43(44)59)28-50(38(35)27-33)34-12-16-49(17-13-34)61(2,53)54;28-27(29,30)39(36,37)33-10-8-21(9-11-33)34-16-23(18-2-1-3-19(13-18)26(31)38)22-6-4-17(12-24(22)34)5-7-25(35)20-14-32-15-20;1-17(2)38(34,35)32-13-11-20(12-14-32)33-16-22(23-5-4-6-24(29-23)27(28)36)21-9-7-19(15-25(21)33)8-10-26-31-30-18(3)37-26;1-16-31-32-24(38-16)8-6-17-5-7-21-22(18-3-2-4-19(14-18)25(30)37)15-34(23(21)13-17)20-9-11-33(12-10-20)39(35,36)26(27,28)29;/h5-7,10-11,26-28,34,37,39,42,46-47H,1,3-4,8-9,12-25,29H2,2H3,(H2,44,59)(H,45,51)(H,48,52);1-4,6,12-13,16,20-21,32H,5,7-11,14-15H2,(H2,31,38);4-7,9,15-17,20H,8,10-14H2,1-3H3,(H2,28,36);2-5,7,13-15,20H,6,8-12H2,1H3,(H2,30,37);1H/t37-,39-,42-;;;;/m0..../s1
InChIKeyHFNULQSQHJTKNT-YALJHKOQSA-N
MW2677.86 g/mol
LogP18.73
Rot. Bonds48

About 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride

5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride (PubChem CID 159186301) has the molecular formula C123H149ClF6N22O15S11 and a molecular weight of 2677.86 g/mol. Its IUPAC name is 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride.

Molecular Properties

Compound Name5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride
PubChem CID159186301
Molecular FormulaC123H149ClF6N22O15S11
Molecular Weight2677.86 g/mol
Exact Mass2674.81
IUPAC Name5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride
SMILESC=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)NCCOCCOCCOCCOCCC(=O)Nc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(C)(=O)=O)CC4)c3c2)N1.Cc1nnc(CCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)s1.Cc1nnc(CCc2ccc3c(-c4cccc(C(N)=S)n4)cn(C4CCN(S(=O)(=O)C(C)C)CC4)c3c2)s1.Cl.NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CCC(=O)C4CNC4)ccc23)c1
InChIInChI=1S/C43H61N7O8S3.C27H29F3N4O3S2.C27H32N6O2S3.C26H26F3N5O2S3.ClH/c1-30-46-37-29-60-39(42(37)47-30)8-3-4-9-40(51)45-15-19-56-21-23-58-25-24-57-22-20-55-18-14-41(52)48-33-10-11-35-36(31-6-5-7-32(26-31)43(44)59)28-50(38(35)27-33)34-12-16-49(17-13-34)61(2,53)54;28-27(29,30)39(36,37)33-10-8-21(9-11-33)34-16-23(18-2-1-3-19(13-18)26(31)38)22-6-4-17(12-24(22)34)5-7-25(35)20-14-32-15-20;1-17(2)38(34,35)32-13-11-20(12-14-32)33-16-22(23-5-4-6-24(29-23)27(28)36)21-9-7-19(15-25(21)33)8-10-26-31-30-18(3)37-26;1-16-31-32-24(38-16)8-6-17-5-7-21-22(18-3-2-4-19(14-18)25(30)37)15-34(23(21)13-17)20-9-11-33(12-10-20)39(35,36)26(27,28)29;/h5-7,10-11,26-28,34,37,39,42,46-47H,1,3-4,8-9,12-25,29H2,2H3,(H2,44,59)(H,45,51)(H,48,52);1-4,6,12-13,16,20-21,32H,5,7-11,14-15H2,(H2,31,38);4-7,9,15-17,20H,8,10-14H2,1-3H3,(H2,28,36);2-5,7,13-15,20H,6,8-12H2,1H3,(H2,30,37);1H/t37-,39-,42-;;;;/m0..../s1
InChIKeyHFNULQSQHJTKNT-YALJHKOQSA-N
XLogP18.73
TPSA486.05 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds48
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002677.86
LogP ≤ 518.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride?
The IUPAC name of 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride (CID 159186301) is 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride.
What is the SMILES notation for 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride?
The canonical SMILES for 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride is C=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)NCCOCCOCCOCCOCCC(=O)Nc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(C)(=O)=O)CC4)c3c2)N1.Cc1nnc(CCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)s1.Cc1nnc(CCc2ccc3c(-c4cccc(C(N)=S)n4)cn(C4CCN(S(=O)(=O)C(C)C)CC4)c3c2)s1.Cl.NC(=S)c1cccc(-c2cn(C3CCN(S(=O)(=O)C(F)(F)F)CC3)c3cc(CCC(=O)C4CNC4)ccc23)c1.
What is the InChIKey of 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride?
The InChIKey is HFNULQSQHJTKNT-YALJHKOQSA-N. The full InChI is InChI=1S/C43H61N7O8S3.C27H29F3N4O3S2.C27H32N6O2S3.C26H26F3N5O2S3.ClH/c1-30-46-37-29-60-39(42(37)47-30)8-3-4-9-40(51)45-15-19-56-21-23-58-25-24-57-22-20-55-18-14-41(52)48-33-10-11-35-36(31-6-5-7-32(26-31)43(44)59)28-50(38(35)27-33)34-12-16-49(17-13-34)61(2,53)54;28-27(29,30)39(36,37)33-10-8-21(9-11-33)34-16-23(18-2-1-3-19(13-18)26(31)38)22-6-4-17(12-24(22)34)5-7-25(35)20-14-32-15-20;1-17(2)38(34,35)32-13-11-20(12-14-32)33-16-22(23-5-4-6-24(29-23)27(28)36)21-9-7-19(15-25(21)33)8-10-26-31-30-18(3)37-26;1-16-31-32-24(38-16)8-6-17-5-7-21-22(18-3-2-4-19(14-18)25(30)37)15-34(23(21)13-17)20-9-11-33(12-10-20)39(35,36)26(27,28)29;/h5-7,10-11,26-28,34,37,39,42,46-47H,1,3-4,8-9,12-25,29H2,2H3,(H2,44,59)(H,45,51)(H,48,52);1-4,6,12-13,16,20-21,32H,5,7-11,14-15H2,(H2,31,38);4-7,9,15-17,20H,8,10-14H2,1-3H3,(H2,28,36);2-5,7,13-15,20H,6,8-12H2,1H3,(H2,30,37);1H/t37-,39-,42-;;;;/m0..../s1.
What are the key properties of 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride?
5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride has a molecular weight of 2677.86 g/mol, XLogP of 18.73, 48 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(3-carbamothioylphenyl)-1-(1-methylsulfonylpiperidin-4-yl)indol-6-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide;3-[6-[3-(azetidin-3-yl)-3-oxopropyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;6-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)indol-3-yl]pyridine-2-carbothioamide;3-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indol-3-yl]benzenecarbothioamide;hydrochloride is sourced from PubChem (CID 159186301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).