N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide

C121H127F5N34O7 — CID 158940667

IUPACN-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide
SMILESCC1=Cc2c(ccc(Oc3cc(Nc4ccc(N5CCN(C)CC5)cn4)ncn3)c2F)C1.CC1=Cc2c(ccc(Oc3cc(Nc4ccc(N5CCNCC5)cn4)ncn3)c2F)C1.CCN1CCN(c2ccc(Nc3cc(Oc4ccc5c(c4F)C=C(C)C5)ncn3)nc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3NC=O)nc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3NC=O)ccc2[nH]1
InChIInChI=1S/C25H27FN8O2.C25H27FN6O.C24H25FN8O2.C24H25FN6O.C23H23FN6O/c1-3-33-8-10-34(11-9-33)17-4-7-21(27-13-17)32-24-23(30-15-35)25(29-14-28-24)36-20-6-5-19-18(22(20)26)12-16(2)31-19;1-3-31-8-10-32(11-9-31)19-5-7-22(27-15-19)30-23-14-24(29-16-28-23)33-21-6-4-18-12-17(2)13-20(18)25(21)26;1-15-11-17-18(30-15)4-5-19(21(17)25)35-24-22(29-14-34)23(27-13-28-24)31-20-6-3-16(12-26-20)33-9-7-32(2)8-10-33;1-16-11-17-3-5-20(24(25)19(17)12-16)32-23-13-22(27-15-28-23)29-21-6-4-18(14-26-21)31-9-7-30(2)8-10-31;1-15-10-16-2-4-19(23(24)18(16)11-15)31-22-12-21(27-14-28-22)29-20-5-3-17(13-26-20)30-8-6-25-7-9-30/h4-7,12-15,31H,3,8-11H2,1-2H3,(H,30,35)(H,27,28,29,32);4-7,13-16H,3,8-12H2,1-2H3,(H,27,28,29,30);3-6,11-14,30H,7-10H2,1-2H3,(H,29,34)(H,26,27,28,31);3-6,12-15H,7-11H2,1-2H3,(H,26,27,28,29);2-5,11-14,25H,6-10H2,1H3,(H,26,27,28,29)
InChIKeyJKEYCEMYDLXHBC-UHFFFAOYSA-N
MW2264.57 g/mol
LogP20.52
Rot. Bonds31

About N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide

N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide (PubChem CID 158940667) has the molecular formula C121H127F5N34O7 and a molecular weight of 2264.57 g/mol. Its IUPAC name is N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide
PubChem CID158940667
Molecular FormulaC121H127F5N34O7
Molecular Weight2264.57 g/mol
Exact Mass2263.05
IUPAC NameN-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide
SMILESCC1=Cc2c(ccc(Oc3cc(Nc4ccc(N5CCN(C)CC5)cn4)ncn3)c2F)C1.CC1=Cc2c(ccc(Oc3cc(Nc4ccc(N5CCNCC5)cn4)ncn3)c2F)C1.CCN1CCN(c2ccc(Nc3cc(Oc4ccc5c(c4F)C=C(C)C5)ncn3)nc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3NC=O)nc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3NC=O)ccc2[nH]1
InChIInChI=1S/C25H27FN8O2.C25H27FN6O.C24H25FN8O2.C24H25FN6O.C23H23FN6O/c1-3-33-8-10-34(11-9-33)17-4-7-21(27-13-17)32-24-23(30-15-35)25(29-14-28-24)36-20-6-5-19-18(22(20)26)12-16(2)31-19;1-3-31-8-10-32(11-9-31)19-5-7-22(27-15-19)30-23-14-24(29-16-28-23)33-21-6-4-18-12-17(2)13-20(18)25(21)26;1-15-11-17-18(30-15)4-5-19(21(17)25)35-24-22(29-14-34)23(27-13-28-24)31-20-6-3-16(12-26-20)33-9-7-32(2)8-10-33;1-16-11-17-3-5-20(24(25)19(17)12-16)32-23-13-22(27-15-28-23)29-21-6-4-18(14-26-21)31-9-7-30(2)8-10-31;1-15-10-16-2-4-19(23(24)18(16)11-15)31-22-12-21(27-14-28-22)29-20-5-3-17(13-26-20)30-8-6-25-7-9-30/h4-7,12-15,31H,3,8-11H2,1-2H3,(H,30,35)(H,27,28,29,32);4-7,13-16H,3,8-12H2,1-2H3,(H,27,28,29,30);3-6,11-14,30H,7-10H2,1-2H3,(H,29,34)(H,26,27,28,31);3-6,12-15H,7-11H2,1-2H3,(H,26,27,28,29);2-5,11-14,25H,6-10H2,1H3,(H,26,27,28,29)
InChIKeyJKEYCEMYDLXHBC-UHFFFAOYSA-N
XLogP20.52
TPSA430.62 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002264.57
LogP ≤ 520.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide 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 N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide?
The IUPAC name of N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide (CID 158940667) is N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide?
The canonical SMILES for N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide is CC1=Cc2c(ccc(Oc3cc(Nc4ccc(N5CCN(C)CC5)cn4)ncn3)c2F)C1.CC1=Cc2c(ccc(Oc3cc(Nc4ccc(N5CCNCC5)cn4)ncn3)c2F)C1.CCN1CCN(c2ccc(Nc3cc(Oc4ccc5c(c4F)C=C(C)C5)ncn3)nc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3NC=O)nc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3NC=O)ccc2[nH]1.
What is the InChIKey of N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide?
The InChIKey is JKEYCEMYDLXHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O2.C25H27FN6O.C24H25FN8O2.C24H25FN6O.C23H23FN6O/c1-3-33-8-10-34(11-9-33)17-4-7-21(27-13-17)32-24-23(30-15-35)25(29-14-28-24)36-20-6-5-19-18(22(20)26)12-16(2)31-19;1-3-31-8-10-32(11-9-31)19-5-7-22(27-15-19)30-23-14-24(29-16-28-23)33-21-6-4-18-12-17(2)13-20(18)25(21)26;1-15-11-17-18(30-15)4-5-19(21(17)25)35-24-22(29-14-34)23(27-13-28-24)31-20-6-3-16(12-26-20)33-9-7-32(2)8-10-33;1-16-11-17-3-5-20(24(25)19(17)12-16)32-23-13-22(27-15-28-23)29-21-6-4-18(14-26-21)31-9-7-30(2)8-10-31;1-15-10-16-2-4-19(23(24)18(16)11-15)31-22-12-21(27-14-28-22)29-20-5-3-17(13-26-20)30-8-6-25-7-9-30/h4-7,12-15,31H,3,8-11H2,1-2H3,(H,30,35)(H,27,28,29,32);4-7,13-16H,3,8-12H2,1-2H3,(H,27,28,29,30);3-6,11-14,30H,7-10H2,1-2H3,(H,29,34)(H,26,27,28,31);3-6,12-15H,7-11H2,1-2H3,(H,26,27,28,29);2-5,11-14,25H,6-10H2,1H3,(H,26,27,28,29).
What are the key properties of N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide?
N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide has a molecular weight of 2264.57 g/mol, XLogP of 20.52, 31 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]formamide;N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]formamide is sourced from PubChem (CID 158940667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).