8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane

C117H139F5N34O6S4 — CID 158873444

IUPAC8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
SMILESCNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(CC5CCN(C(C)=O)CC5)nc4)ncn3)cccc12.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(NC5CCN(C)CC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(CC5CCN(C(C)=O)CC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NC5CCN(CC(F)(F)F)CC5)nc4)ncn3)cccc12.S.S.S.S
InChIInChI=1S/C30H33FN8O2.C30H34N8O2.C29H32F3N9O.C28H32FN9O.4H2S/c1-18(22-5-4-6-23-28(30(41)32-3)24(31)16-36-29(22)23)13-33-27-12-25(37-17-38-27)21-14-34-26(35-15-21)11-20-7-9-39(10-8-20)19(2)40;1-19(23-5-4-6-24-25(30(40)31-3)7-10-32-29(23)24)15-33-28-14-26(36-18-37-28)22-16-34-27(35-17-22)13-21-8-11-38(12-9-21)20(2)39;1-18(21-4-3-5-22-23(27(42)33-2)6-9-34-26(21)22)13-35-25-12-24(38-17-39-25)19-14-36-28(37-15-19)40-20-7-10-41(11-8-20)16-29(30,31)32;1-17(20-5-4-6-21-25(27(39)30-2)22(29)15-32-26(20)21)12-31-24-11-23(35-16-36-24)18-13-33-28(34-14-18)37-19-7-9-38(3)10-8-19;;;;/h4-6,12,14-18,20H,7-11,13H2,1-3H3,(H,32,41)(H,33,37,38);4-7,10,14,16-19,21H,8-9,11-13,15H2,1-3H3,(H,31,40)(H,33,36,37);3-6,9,12,14-15,17-18,20H,7-8,10-11,13,16H2,1-2H3,(H,33,42)(H,35,38,39)(H,36,37,40);4-6,11,13-17,19H,7-10,12H2,1-3H3,(H,30,39)(H,31,35,36)(H,33,34,37);4*1H2/t18-;19-;18-;17-;;;;/m1111..../s1
InChIKeyJCDCENZRAVQQEV-AUKREEHISA-N
MW2340.89 g/mol
LogP16.50
Rot. Bonds33

About 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane

8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane (PubChem CID 158873444) has the molecular formula C117H139F5N34O6S4 and a molecular weight of 2340.89 g/mol. Its IUPAC name is 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane.

Molecular Properties

Compound Name8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
PubChem CID158873444
Molecular FormulaC117H139F5N34O6S4
Molecular Weight2340.89 g/mol
Exact Mass2339.04
IUPAC Name8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
SMILESCNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(CC5CCN(C(C)=O)CC5)nc4)ncn3)cccc12.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(NC5CCN(C)CC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(CC5CCN(C(C)=O)CC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NC5CCN(CC(F)(F)F)CC5)nc4)ncn3)cccc12.S.S.S.S
InChIInChI=1S/C30H33FN8O2.C30H34N8O2.C29H32F3N9O.C28H32FN9O.4H2S/c1-18(22-5-4-6-23-28(30(41)32-3)24(31)16-36-29(22)23)13-33-27-12-25(37-17-38-27)21-14-34-26(35-15-21)11-20-7-9-39(10-8-20)19(2)40;1-19(23-5-4-6-24-25(30(40)31-3)7-10-32-29(23)24)15-33-28-14-26(36-18-37-28)22-16-34-27(35-17-22)13-21-8-11-38(12-9-21)20(2)39;1-18(21-4-3-5-22-23(27(42)33-2)6-9-34-26(21)22)13-35-25-12-24(38-17-39-25)19-14-36-28(37-15-19)40-20-7-10-41(11-8-20)16-29(30,31)32;1-17(20-5-4-6-21-25(27(39)30-2)22(29)15-32-26(20)21)12-31-24-11-23(35-16-36-24)18-13-33-28(34-14-18)37-19-7-9-38(3)10-8-19;;;;/h4-6,12,14-18,20H,7-11,13H2,1-3H3,(H,32,41)(H,33,37,38);4-7,10,14,16-19,21H,8-9,11-13,15H2,1-3H3,(H,31,40)(H,33,36,37);3-6,9,12,14-15,17-18,20H,7-8,10-11,13,16H2,1-2H3,(H,33,42)(H,35,38,39)(H,36,37,40);4-6,11,13-17,19H,7-10,12H2,1-3H3,(H,30,39)(H,31,35,36)(H,33,34,37);4*1H2/t18-;19-;18-;17-;;;;/m1111..../s1
InChIKeyJCDCENZRAVQQEV-AUKREEHISA-N
XLogP16.50
TPSA493.48 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002340.89
LogP ≤ 516.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
The IUPAC name of 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane (CID 158873444) is 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane.
What is the SMILES notation for 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
The canonical SMILES for 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane is CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(CC5CCN(C(C)=O)CC5)nc4)ncn3)cccc12.CNC(=O)c1c(F)cnc2c([C@H](C)CNc3cc(-c4cnc(NC5CCN(C)CC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(CC5CCN(C(C)=O)CC5)nc4)ncn3)cccc12.CNC(=O)c1ccnc2c([C@H](C)CNc3cc(-c4cnc(NC5CCN(CC(F)(F)F)CC5)nc4)ncn3)cccc12.S.S.S.S.
What is the InChIKey of 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
The InChIKey is JCDCENZRAVQQEV-AUKREEHISA-N. The full InChI is InChI=1S/C30H33FN8O2.C30H34N8O2.C29H32F3N9O.C28H32FN9O.4H2S/c1-18(22-5-4-6-23-28(30(41)32-3)24(31)16-36-29(22)23)13-33-27-12-25(37-17-38-27)21-14-34-26(35-15-21)11-20-7-9-39(10-8-20)19(2)40;1-19(23-5-4-6-24-25(30(40)31-3)7-10-32-29(23)24)15-33-28-14-26(36-18-37-28)22-16-34-27(35-17-22)13-21-8-11-38(12-9-21)20(2)39;1-18(21-4-3-5-22-23(27(42)33-2)6-9-34-26(21)22)13-35-25-12-24(38-17-39-25)19-14-36-28(37-15-19)40-20-7-10-41(11-8-20)16-29(30,31)32;1-17(20-5-4-6-21-25(27(39)30-2)22(29)15-32-26(20)21)12-31-24-11-23(35-16-36-24)18-13-33-28(34-14-18)37-19-7-9-38(3)10-8-19;;;;/h4-6,12,14-18,20H,7-11,13H2,1-3H3,(H,32,41)(H,33,37,38);4-7,10,14,16-19,21H,8-9,11-13,15H2,1-3H3,(H,31,40)(H,33,36,37);3-6,9,12,14-15,17-18,20H,7-8,10-11,13,16H2,1-2H3,(H,33,42)(H,35,38,39)(H,36,37,40);4-6,11,13-17,19H,7-10,12H2,1-3H3,(H,30,39)(H,31,35,36)(H,33,34,37);4*1H2/t18-;19-;18-;17-;;;;/m1111..../s1.
What are the key properties of 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane?
8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane has a molecular weight of 2340.89 g/mol, XLogP of 16.50, 33 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-acetylpiperidin-4-yl)methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;N-methyl-8-[(2S)-1-[[6-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane is sourced from PubChem (CID 158873444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).