6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene

C146H135FN26O10S3 — CID 161198146

About 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene

6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene (PubChem CID 161198146) has the molecular formula C146H135FN26O10S3 and a molecular weight of 2529.06 g/mol. Its IUPAC name is 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene.

Molecular Properties

• Compound Name: 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene
• PubChem CID: 161198146
• Molecular Formula: C146H135FN26O10S3
• Molecular Weight: 2529.06 g/mol
• Exact Mass: 2527.00
• IUPAC Name: 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene
• SMILES: C=C1N[C@H](C)CNc2c1sc1ccc3nc(-c4ccc(C)nc4)ccc3c21.CC1CNC(=O)c2[nH]c3ccc(C(=O)Cc4nc(C(=O)NCCN(C)C)cs4)cc3c21.CN1CC2(CCC(=O)C3=C2CC2=C3CCc3cnc(-c4ccccc4F)cc32)C1.COc1ccc2sc3c(c2c1)NC[C@@H](CN)NC3=O.C[C@@H](Nc1c(Nc2ccccc2)c(=O)c1=O)c1ccccc1.Cc1nccc(Nc2cc(-c3cc4ccccc4o3)c3[nH]ncc3c2)n1.Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O
• InChI: InChI=1S/C26H21N5O.C25H23FN2O.C22H25N5O3S.C22H20N4S.C20H15N5O.C18H16N2O2.C13H15N3O2S/c27-25-23(19-6-7-22-20(12-19)9-11-29-26(22)32)15-31(30-25)21-3-1-2-17(13-21)18-5-4-16-8-10-28-24(16)14-18;1-28-13-25(14-28)9-8-23(29)24-16-7-6-15-12-27-22(17-4-2-3-5-21(17)26)11-18(15)19(16)10-20(24)25;1-12-10-24-22(30)20-19(12)14-8-13(4-5-15(14)26-20)17(28)9-18-25-16(11-31-18)21(29)23-6-7-27(2)3;1-12-4-5-15(11-23-12)17-7-6-16-18(26-17)8-9-19-20(16)21-22(27-19)14(3)25-13(2)10-24-21;1-12-21-7-6-19(23-12)24-15-8-14-11-22-25-20(14)16(10-15)18-9-13-4-2-3-5-17(13)26-18;1-12(13-8-4-2-5-9-13)19-15-16(18(22)17(15)21)20-14-10-6-3-7-11-14;1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)16-7(5-14)6-15-11/h1-8,10,12-15,28H,9,11H2,(H2,27,30)(H,29,32);2-5,11-12H,6-10,13-14H2,1H3;4-5,8,11-12,26H,6-7,9-10H2,1-3H3,(H,23,29)(H,24,30);4-9,11,13,24-25H,3,10H2,1-2H3;2-11H,1H3,(H,22,25)(H,21,23,24);2-12,19-20H,1H3;2-4,7,15H,5-6,14H2,1H3,(H,16,17)/t;;;13-;;12-;7-/m...1.11/s1
• InChIKey: UUPXJIVWBQQHDK-XAMXJVBKSA-N
• XLogP: 25.93
• TPSA: 493.17 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2529.06
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene?

The IUPAC name of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene (CID 161198146) is 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene.

What is the SMILES notation for 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene?

The canonical SMILES for 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene is C=C1N[C@H](C)CNc2c1sc1ccc3nc(-c4ccc(C)nc4)ccc3c21.CC1CNC(=O)c2[nH]c3ccc(C(=O)Cc4nc(C(=O)NCCN(C)C)cs4)cc3c21.CN1CC2(CCC(=O)C3=C2CC2=C3CCc3cnc(-c4ccccc4F)cc32)C1.COc1ccc2sc3c(c2c1)NC[C@@H](CN)NC3=O.C[C@@H](Nc1c(Nc2ccccc2)c(=O)c1=O)c1ccccc1.Cc1nccc(Nc2cc(-c3cc4ccccc4o3)c3[nH]ncc3c2)n1.Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O.

What is the InChIKey of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene?

The InChIKey is UUPXJIVWBQQHDK-XAMXJVBKSA-N. The full InChI is InChI=1S/C26H21N5O.C25H23FN2O.C22H25N5O3S.C22H20N4S.C20H15N5O.C18H16N2O2.C13H15N3O2S/c27-25-23(19-6-7-22-20(12-19)9-11-29-26(22)32)15-31(30-25)21-3-1-2-17(13-21)18-5-4-16-8-10-28-24(16)14-18;1-28-13-25(14-28)9-8-23(29)24-16-7-6-15-12-27-22(17-4-2-3-5-21(17)26)11-18(15)19(16)10-20(24)25;1-12-10-24-22(30)20-19(12)14-8-13(4-5-15(14)26-20)17(28)9-18-25-16(11-31-18)21(29)23-6-7-27(2)3;1-12-4-5-15(11-23-12)17-7-6-16-18(26-17)8-9-19-20(16)21-22(27-19)14(3)25-13(2)10-24-21;1-12-21-7-6-19(23-12)24-15-8-14-11-22-25-20(14)16(10-15)18-9-13-4-2-3-5-17(13)26-18;1-12(13-8-4-2-5-9-13)19-15-16(18(22)17(15)21)20-14-10-6-3-7-11-14;1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)16-7(5-14)6-15-11/h1-8,10,12-15,28H,9,11H2,(H2,27,30)(H,29,32);2-5,11-12H,6-10,13-14H2,1H3;4-5,8,11-12,26H,6-7,9-10H2,1-3H3,(H,23,29)(H,24,30);4-9,11,13,24-25H,3,10H2,1-2H3;2-11H,1H3,(H,22,25)(H,21,23,24);2-12,19-20H,1H3;2-4,7,15H,5-6,14H2,1H3,(H,16,17)/t;;;13-;;12-;7-/m...1.11/s1.

What are the key properties of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene?

6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene has a molecular weight of 2529.06 g/mol, XLogP of 25.93, 22 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one;3-anilino-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione;7-(1-benzofuran-2-yl)-N-(2-methylpyrimidin-4-yl)-1H-indazol-5-amine;N-[2-(dimethylamino)ethyl]-2-[2-(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide;2-(2-fluorophenyl)-1'-methylspiro[6,8,9,11-tetrahydro-5H-indeno[2,1-f]isoquinoline-10,3'-azetidine]-7-one;(15R)-15-methyl-13-methylidene-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaene is sourced from PubChem (CID 161198146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).