4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C162H160F6N22O12 — CID 167603070

IUPAC4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@@H]4c4ccccc4)CC3)c2)cn1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@H]4c4ccccc4)CC3)c2)cn1.O=C(NC1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(NC1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.O=C(NC1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(NC1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1
InChIInChI=1S/2C28H26F3N3O2.2C27H28N4O2.2C26H26N4O2/c2*29-28(30,31)22-9-10-26(32-18-22)36-23-8-4-5-20(16-23)15-19-11-13-34(14-12-19)27(35)33-25-17-24(25)21-6-2-1-3-7-21;2*1-19-17-29-26(18-28-19)33-23-9-5-6-21(15-23)14-20-10-12-31(13-11-20)27(32)30-25-16-24(25)22-7-3-2-4-8-22;2*31-26(29-24-18-23(24)21-7-2-1-3-8-21)30-14-10-19(11-15-30)16-20-6-4-9-22(17-20)32-25-27-12-5-13-28-25/h2*1-10,15-16,18,24-25H,11-14,17H2,(H,33,35);2*2-9,14-15,17-18,24-25H,10-13,16H2,1H3,(H,30,32);2*1-9,12-13,16-17,23-24H,10-11,14-15,18H2,(H,29,31)/t4*24-,25?;2*23-,24?/m101010/s1
InChIKeyJZOXHTRTDVGIJC-NAMSQHRSSA-N
MW2721.19 g/mol
LogP33.95
Rot. Bonds30

About 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 167603070) has the molecular formula C162H160F6N22O12 and a molecular weight of 2721.19 g/mol. Its IUPAC name is 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID167603070
Molecular FormulaC162H160F6N22O12
Molecular Weight2721.19 g/mol
Exact Mass2719.25
IUPAC Name4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@@H]4c4ccccc4)CC3)c2)cn1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@H]4c4ccccc4)CC3)c2)cn1.O=C(NC1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(NC1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.O=C(NC1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(NC1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1
InChIInChI=1S/2C28H26F3N3O2.2C27H28N4O2.2C26H26N4O2/c2*29-28(30,31)22-9-10-26(32-18-22)36-23-8-4-5-20(16-23)15-19-11-13-34(14-12-19)27(35)33-25-17-24(25)21-6-2-1-3-7-21;2*1-19-17-29-26(18-28-19)33-23-9-5-6-21(15-23)14-20-10-12-31(13-11-20)27(32)30-25-16-24(25)22-7-3-2-4-8-22;2*31-26(29-24-18-23(24)21-7-2-1-3-8-21)30-14-10-19(11-15-30)16-20-6-4-9-22(17-20)32-25-27-12-5-13-28-25/h2*1-10,15-16,18,24-25H,11-14,17H2,(H,33,35);2*2-9,14-15,17-18,24-25H,10-13,16H2,1H3,(H,30,32);2*1-9,12-13,16-17,23-24H,10-11,14-15,18H2,(H,29,31)/t4*24-,25?;2*23-,24?/m101010/s1
InChIKeyJZOXHTRTDVGIJC-NAMSQHRSSA-N
XLogP33.95
TPSA378.32 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002721.19
LogP ≤ 533.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 167603070) is 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@@H]4c4ccccc4)CC3)c2)cn1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@H]4c4ccccc4)CC3)c2)cn1.O=C(NC1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(NC1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.O=C(NC1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(NC1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.
What is the InChIKey of 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is JZOXHTRTDVGIJC-NAMSQHRSSA-N. The full InChI is InChI=1S/2C28H26F3N3O2.2C27H28N4O2.2C26H26N4O2/c2*29-28(30,31)22-9-10-26(32-18-22)36-23-8-4-5-20(16-23)15-19-11-13-34(14-12-19)27(35)33-25-17-24(25)21-6-2-1-3-7-21;2*1-19-17-29-26(18-28-19)33-23-9-5-6-21(15-23)14-20-10-12-31(13-11-20)27(32)30-25-16-24(25)22-7-3-2-4-8-22;2*31-26(29-24-18-23(24)21-7-2-1-3-8-21)30-14-10-19(11-15-30)16-20-6-4-9-22(17-20)32-25-27-12-5-13-28-25/h2*1-10,15-16,18,24-25H,11-14,17H2,(H,33,35);2*2-9,14-15,17-18,24-25H,10-13,16H2,1H3,(H,30,32);2*1-9,12-13,16-17,23-24H,10-11,14-15,18H2,(H,29,31)/t4*24-,25?;2*23-,24?/m101010/s1.
What are the key properties of 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 2721.19 g/mol, XLogP of 33.95, 30 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 167603070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).