N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C114H104F5N15O16S — CID 158168237

IUPACN-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1cc(/C=C/c2[nH]nc3ccc(C(=O)NC4CC4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccccc4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccco4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)ccc1F
InChIInChI=1S/C25H22FN3O3.C23H20FN3O4.C23H20FN3O3S.C22H22FN3O3.C21H20FN3O3/c1-31-22-14-16(8-11-19(22)26)9-12-20-23-21(29-28-20)13-10-18(24(23)32-2)25(30)27-15-17-6-4-3-5-7-17;2*1-29-20-12-14(5-8-17(20)24)6-9-18-21-19(27-26-18)10-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15;1-28-19-11-13(5-8-16(19)23)6-9-17-20-18(26-25-17)10-7-15(21(20)29-2)22(27)24-12-14-3-4-14;1-27-18-11-12(3-8-15(18)22)4-9-16-19-17(25-24-16)10-7-14(20(19)28-2)21(26)23-13-5-6-13/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29);2*3-12H,13H2,1-2H3,(H,25,28)(H,26,27);5-11,14H,3-4,12H2,1-2H3,(H,24,27)(H,25,26);3-4,7-11,13H,5-6H2,1-2H3,(H,23,26)(H,24,25)/b12-9+;3*9-6+;9-4+
InChIKeyFXCPPRIVVMDBDD-KPOVPZELSA-N
MW2067.23 g/mol
LogP21.92
Rot. Bonds34

About N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 158168237) has the molecular formula C114H104F5N15O16S and a molecular weight of 2067.23 g/mol. Its IUPAC name is N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID158168237
Molecular FormulaC114H104F5N15O16S
Molecular Weight2067.23 g/mol
Exact Mass2065.74
IUPAC NameN-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1cc(/C=C/c2[nH]nc3ccc(C(=O)NC4CC4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccccc4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccco4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)ccc1F
InChIInChI=1S/C25H22FN3O3.C23H20FN3O4.C23H20FN3O3S.C22H22FN3O3.C21H20FN3O3/c1-31-22-14-16(8-11-19(22)26)9-12-20-23-21(29-28-20)13-10-18(24(23)32-2)25(30)27-15-17-6-4-3-5-7-17;2*1-29-20-12-14(5-8-17(20)24)6-9-18-21-19(27-26-18)10-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15;1-28-19-11-13(5-8-16(19)23)6-9-17-20-18(26-25-17)10-7-15(21(20)29-2)22(27)24-12-14-3-4-14;1-27-18-11-12(3-8-15(18)22)4-9-16-19-17(25-24-16)10-7-14(20(19)28-2)21(26)23-13-5-6-13/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29);2*3-12H,13H2,1-2H3,(H,25,28)(H,26,27);5-11,14H,3-4,12H2,1-2H3,(H,24,27)(H,25,26);3-4,7-11,13H,5-6H2,1-2H3,(H,23,26)(H,24,25)/b12-9+;3*9-6+;9-4+
InChIKeyFXCPPRIVVMDBDD-KPOVPZELSA-N
XLogP21.92
TPSA394.34 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.23
LogP ≤ 521.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160081203
N-cyclopropyl-3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160581110
3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589771
3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589772
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
CID 59797392
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-3-ylethenyl]-1H-indazole-5-carboxamide
CID 60034754
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide
CID 60034822
3-[(E)-2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide
CID 60035059
N-(furan-2-ylmethyl)-4-methoxy-3-(2-thiophen-2-ylethenyl)-2H-indazole-5-carboxamide
CID 72564640
N-(furan-2-ylmethyl)-4-methoxy-3-(2-thiophen-3-ylethenyl)-1H-indazole-5-carboxamide
CID 72628124
N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide
CID 72628172
3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide
CID 72628319

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 158168237) is N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NC4CC4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccccc4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccco4)c(OC)c23)ccc1F.COc1cc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)ccc1F.
What is the InChIKey of N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is FXCPPRIVVMDBDD-KPOVPZELSA-N. The full InChI is InChI=1S/C25H22FN3O3.C23H20FN3O4.C23H20FN3O3S.C22H22FN3O3.C21H20FN3O3/c1-31-22-14-16(8-11-19(22)26)9-12-20-23-21(29-28-20)13-10-18(24(23)32-2)25(30)27-15-17-6-4-3-5-7-17;2*1-29-20-12-14(5-8-17(20)24)6-9-18-21-19(27-26-18)10-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15;1-28-19-11-13(5-8-16(19)23)6-9-17-20-18(26-25-17)10-7-15(21(20)29-2)22(27)24-12-14-3-4-14;1-27-18-11-12(3-8-15(18)22)4-9-16-19-17(25-24-16)10-7-14(20(19)28-2)21(26)23-13-5-6-13/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29);2*3-12H,13H2,1-2H3,(H,25,28)(H,26,27);5-11,14H,3-4,12H2,1-2H3,(H,24,27)(H,25,26);3-4,7-11,13H,5-6H2,1-2H3,(H,23,26)(H,24,25)/b12-9+;3*9-6+;9-4+.
What are the key properties of N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 2067.23 g/mol, XLogP of 21.92, 34 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 158168237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).