2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum

C184H162N15O5Pt5-5 — CID 157219687

IUPAC2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)c(-c3[c-]c(C(C)(C)c4ccccn4)ccc3)nc1n2-c1ccccc1O.CC(C)(c1[c-]c(-c2nc3c(cc2-c2ccccc2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2O)ccc1)c1ccccn1.CC(C)c1ccc2c(c1)c1cc(C(C)C)c(-c3[c-]c(C(C)(C)c4ccccn4)ccc3)nc1n2-c1ccccc1O.CCc1cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)[c-]c(C(C)(C)c2ccccn2)c1.Cc1cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)[c-]c(C(C)(C)c2ccccn2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C43H32N3O.C39H40N3O.C37H36N3O.C33H28N3O.C32H26N3O.5Pt/c1-43(2,40-22-11-12-25-44-40)33-19-13-18-32(26-33)41-34(30-16-7-4-8-17-30)28-36-35-27-31(29-14-5-3-6-15-29)23-24-37(35)46(42(36)45-41)38-20-9-10-21-39(38)47;1-37(2,3)26-19-20-31-28(23-26)29-24-30(38(4,5)6)35(41-36(29)42(31)32-16-9-10-17-33(32)43)25-14-13-15-27(22-25)39(7,8)34-18-11-12-21-40-34;1-23(2)25-17-18-31-29(21-25)30-22-28(24(3)4)35(39-36(30)40(31)32-14-7-8-15-33(32)41)26-12-11-13-27(20-26)37(5,6)34-16-9-10-19-38-34;1-4-22-19-23(21-24(20-22)33(2,3)31-15-9-10-18-34-31)27-17-16-26-25-11-5-6-12-28(25)36(32(26)35-27)29-13-7-8-14-30(29)37;1-21-18-22(20-23(19-21)32(2,3)30-14-8-9-17-33-30)26-16-15-25-24-10-4-5-11-27(24)35(31(25)34-26)28-12-6-7-13-29(28)36;;;;;/h3-25,27-28,47H,1-2H3;9-21,23-24,43H,1-8H3;7-19,21-24,41H,1-6H3;5-20,37H,4H2,1-3H3;4-19,36H,1-3H3;;;;;/q5*-1;;;;;
InChIKeyMNYJVWPGKRGELJ-UHFFFAOYSA-N
MW3638.81 g/mol
LogP44.40
Rot. Bonds25

About 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum

2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum (PubChem CID 157219687) has the molecular formula C184H162N15O5Pt5-5 and a molecular weight of 3638.81 g/mol. Its IUPAC name is 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum.

Molecular Properties

Compound Name2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum
PubChem CID157219687
Molecular FormulaC184H162N15O5Pt5-5
Molecular Weight3638.81 g/mol
Exact Mass3636.12
IUPAC Name2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)c(-c3[c-]c(C(C)(C)c4ccccn4)ccc3)nc1n2-c1ccccc1O.CC(C)(c1[c-]c(-c2nc3c(cc2-c2ccccc2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2O)ccc1)c1ccccn1.CC(C)c1ccc2c(c1)c1cc(C(C)C)c(-c3[c-]c(C(C)(C)c4ccccn4)ccc3)nc1n2-c1ccccc1O.CCc1cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)[c-]c(C(C)(C)c2ccccn2)c1.Cc1cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)[c-]c(C(C)(C)c2ccccn2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C43H32N3O.C39H40N3O.C37H36N3O.C33H28N3O.C32H26N3O.5Pt/c1-43(2,40-22-11-12-25-44-40)33-19-13-18-32(26-33)41-34(30-16-7-4-8-17-30)28-36-35-27-31(29-14-5-3-6-15-29)23-24-37(35)46(42(36)45-41)38-20-9-10-21-39(38)47;1-37(2,3)26-19-20-31-28(23-26)29-24-30(38(4,5)6)35(41-36(29)42(31)32-16-9-10-17-33(32)43)25-14-13-15-27(22-25)39(7,8)34-18-11-12-21-40-34;1-23(2)25-17-18-31-29(21-25)30-22-28(24(3)4)35(39-36(30)40(31)32-14-7-8-15-33(32)41)26-12-11-13-27(20-26)37(5,6)34-16-9-10-19-38-34;1-4-22-19-23(21-24(20-22)33(2,3)31-15-9-10-18-34-31)27-17-16-26-25-11-5-6-12-28(25)36(32(26)35-27)29-13-7-8-14-30(29)37;1-21-18-22(20-23(19-21)32(2,3)30-14-8-9-17-33-30)26-16-15-25-24-10-4-5-11-27(24)35(31(25)34-26)28-12-6-7-13-29(28)36;;;;;/h3-25,27-28,47H,1-2H3;9-21,23-24,43H,1-8H3;7-19,21-24,41H,1-6H3;5-20,37H,4H2,1-3H3;4-19,36H,1-3H3;;;;;/q5*-1;;;;;
InChIKeyMNYJVWPGKRGELJ-UHFFFAOYSA-N
XLogP44.40
TPSA254.70 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003638.81
LogP ≤ 544.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?
The IUPAC name of 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum (CID 157219687) is 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum.
What is the SMILES notation for 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?
The canonical SMILES for 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)c(-c3[c-]c(C(C)(C)c4ccccn4)ccc3)nc1n2-c1ccccc1O.CC(C)(c1[c-]c(-c2nc3c(cc2-c2ccccc2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2O)ccc1)c1ccccn1.CC(C)c1ccc2c(c1)c1cc(C(C)C)c(-c3[c-]c(C(C)(C)c4ccccn4)ccc3)nc1n2-c1ccccc1O.CCc1cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)[c-]c(C(C)(C)c2ccccn2)c1.Cc1cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)[c-]c(C(C)(C)c2ccccn2)c1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?
The InChIKey is MNYJVWPGKRGELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N3O.C39H40N3O.C37H36N3O.C33H28N3O.C32H26N3O.5Pt/c1-43(2,40-22-11-12-25-44-40)33-19-13-18-32(26-33)41-34(30-16-7-4-8-17-30)28-36-35-27-31(29-14-5-3-6-15-29)23-24-37(35)46(42(36)45-41)38-20-9-10-21-39(38)47;1-37(2,3)26-19-20-31-28(23-26)29-24-30(38(4,5)6)35(41-36(29)42(31)32-16-9-10-17-33(32)43)25-14-13-15-27(22-25)39(7,8)34-18-11-12-21-40-34;1-23(2)25-17-18-31-29(21-25)30-22-28(24(3)4)35(39-36(30)40(31)32-14-7-8-15-33(32)41)26-12-11-13-27(20-26)37(5,6)34-16-9-10-19-38-34;1-4-22-19-23(21-24(20-22)33(2,3)31-15-9-10-18-34-31)27-17-16-26-25-11-5-6-12-28(25)36(32(26)35-27)29-13-7-8-14-30(29)37;1-21-18-22(20-23(19-21)32(2,3)30-14-8-9-17-33-30)26-16-15-25-24-10-4-5-11-27(24)35(31(25)34-26)28-12-6-7-13-29(28)36;;;;;/h3-25,27-28,47H,1-2H3;9-21,23-24,43H,1-8H3;7-19,21-24,41H,1-6H3;5-20,37H,4H2,1-3H3;4-19,36H,1-3H3;;;;;/q5*-1;;;;;.
What are the key properties of 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum?
2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum has a molecular weight of 3638.81 g/mol, XLogP of 44.40, 25 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-ditert-butyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-diphenyl-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[3,6-di(propan-2-yl)-2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-ethyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;2-[2-[3-methyl-5-(2-pyridin-2-ylpropan-2-yl)benzene-6-id-1-yl]pyrido[2,3-b]indol-9-yl]phenol;platinum is sourced from PubChem (CID 157219687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).