1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen

C118H137F4N27O9 — CID 167660541

IUPAC1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCn1nnc2cc(CNC(=O)C3CC(NCc4cccc(C(F)(F)F)c4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(NCc4ccccc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(c4ccc(F)cc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(c4ccccc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.[H][H]
InChIInChI=1S/C31H34F3N7O2.C30H35N7O2.C29H31FN6O2.C28H35N7O3.H2/c1-40-27-13-11-22(15-26(27)38-39-40)18-37-29(42)28-16-24(36-17-21-8-5-9-23(14-21)31(32,33)34)19-41(28)30(43)25(35)12-10-20-6-3-2-4-7-20;1-36-27-15-13-23(16-26(27)34-35-36)19-33-29(38)28-17-24(32-18-22-10-6-3-7-11-22)20-37(28)30(39)25(31)14-12-21-8-4-2-5-9-21;1-35-26-14-8-20(15-25(26)33-34-35)17-32-28(37)27-16-22(21-9-11-23(30)12-10-21)18-36(27)29(38)24(31)13-7-19-5-3-2-4-6-19;1-33-24-11-9-19(15-23(24)31-32-33)17-30-27(37)25-16-21(20-7-3-2-4-8-20)18-35(25)28(38)22(29)10-12-26(36)34-13-5-6-14-34;/h2-9,11,13-15,24-25,28,36H,10,12,16-19,35H2,1H3,(H,37,42);2-11,13,15-16,24-25,28,32H,12,14,17-20,31H2,1H3,(H,33,38);2-6,8-12,14-15,22,24,27H,7,13,16-18,31H2,1H3,(H,32,37);2-4,7-9,11,15,21-22,25H,5-6,10,12-14,16-18,29H2,1H3,(H,30,37);1H
InChIKeyRWWXSINPFGHHQJ-UHFFFAOYSA-N
MW2153.57 g/mol
LogP10.64
Rot. Bonds36

About 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167660541) has the molecular formula C118H137F4N27O9 and a molecular weight of 2153.57 g/mol. Its IUPAC name is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167660541
Molecular FormulaC118H137F4N27O9
Molecular Weight2153.57 g/mol
Exact Mass2152.10
IUPAC Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCn1nnc2cc(CNC(=O)C3CC(NCc4cccc(C(F)(F)F)c4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(NCc4ccccc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(c4ccc(F)cc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(c4ccccc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.[H][H]
InChIInChI=1S/C31H34F3N7O2.C30H35N7O2.C29H31FN6O2.C28H35N7O3.H2/c1-40-27-13-11-22(15-26(27)38-39-40)18-37-29(42)28-16-24(36-17-21-8-5-9-23(14-21)31(32,33)34)19-41(28)30(43)25(35)12-10-20-6-3-2-4-7-20;1-36-27-15-13-23(16-26(27)34-35-36)19-33-29(38)28-17-24(32-18-22-10-6-3-7-11-22)20-37(28)30(39)25(31)14-12-21-8-4-2-5-9-21;1-35-26-14-8-20(15-25(26)33-34-35)17-32-28(37)27-16-22(21-9-11-23(30)12-10-21)18-36(27)29(38)24(31)13-7-19-5-3-2-4-6-19;1-33-24-11-9-19(15-23(24)31-32-33)17-30-27(37)25-16-21(20-7-3-2-4-8-20)18-35(25)28(38)22(29)10-12-26(36)34-13-5-6-14-34;/h2-9,11,13-15,24-25,28,36H,10,12,16-19,35H2,1H3,(H,37,42);2-11,13,15-16,24-25,28,32H,12,14,17-20,31H2,1H3,(H,33,38);2-6,8-12,14-15,22,24,27H,7,13,16-18,31H2,1H3,(H,32,37);2-4,7-9,11,15,21-22,25H,5-6,10,12-14,16-18,29H2,1H3,(H,30,37);1H
InChIKeyRWWXSINPFGHHQJ-UHFFFAOYSA-N
XLogP10.64
TPSA468.93 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002153.57
LogP ≤ 510.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 139553296
4-[(4-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 139553380
4-[(3,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 139553396
(2S,4S)-1-[(2R)-2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl]-4-[(3-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139553399
(2S)-4-[2-(3-fluoro-4-iodophenyl)ethyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(4S)-4-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553414
(2S,4R)-1-[(2R,4R)-4-ethylpyrrolidine-2-carbonyl]-4-[(3-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139553465
(2S,4R)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(4-methylphenyl)methyl]-1-[(2R)-4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553473
(2S,4R)-1-[(2R)-2-amino-5-[(3S)-3-fluoropyrrolidin-1-yl]-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 139553846
(2S)-1-[(2R)-2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl]-4-[(2-fluoro-4-methylphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139553954
(2S,4R)-4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R,4S)-4-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553977
N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[3-[1-methyl-5-[[[1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]methyl]-6,7-dihydrobenzotriazol-4-yl]phenyl]pyrrolidine-2-carbonyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139554027
(2S,4R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-[(2R,4R)-4-ethylpyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139554183

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen (CID 167660541) is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen is Cn1nnc2cc(CNC(=O)C3CC(NCc4cccc(C(F)(F)F)c4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(NCc4ccccc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(c4ccc(F)cc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(c4ccccc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.[H][H].
What is the InChIKey of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is RWWXSINPFGHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N7O2.C30H35N7O2.C29H31FN6O2.C28H35N7O3.H2/c1-40-27-13-11-22(15-26(27)38-39-40)18-37-29(42)28-16-24(36-17-21-8-5-9-23(14-21)31(32,33)34)19-41(28)30(43)25(35)12-10-20-6-3-2-4-7-20;1-36-27-15-13-23(16-26(27)34-35-36)19-33-29(38)28-17-24(32-18-22-10-6-3-7-11-22)20-37(28)30(39)25(31)14-12-21-8-4-2-5-9-21;1-35-26-14-8-20(15-25(26)33-34-35)17-32-28(37)27-16-22(21-9-11-23(30)12-10-21)18-36(27)29(38)24(31)13-7-19-5-3-2-4-6-19;1-33-24-11-9-19(15-23(24)31-32-33)17-30-27(37)25-16-21(20-7-3-2-4-8-20)18-35(25)28(38)22(29)10-12-26(36)34-13-5-6-14-34;/h2-9,11,13-15,24-25,28,36H,10,12,16-19,35H2,1H3,(H,37,42);2-11,13,15-16,24-25,28,32H,12,14,17-20,31H2,1H3,(H,33,38);2-6,8-12,14-15,22,24,27H,7,13,16-18,31H2,1H3,(H,32,37);2-4,7-9,11,15,21-22,25H,5-6,10,12-14,16-18,29H2,1H3,(H,30,37);1H.
What are the key properties of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen?
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2153.57 g/mol, XLogP of 10.64, 36 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167660541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).