(2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide

C168H170N14O18S6 — CID 159718164

IUPAC(2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1ccc(CN[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CC(=O)Nc1ccc(CN[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CCC(=O)c1ccc(CC[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CCC(=O)c1ccc(CC[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CN(C)C(=O)c1ccc(CN[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CN(C)C(=O)c1ccc(CN[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/2C29H29NO3S.2C28H29N3O3S.2C27H27N3O3S/c2*1-2-28(31)24-15-12-22(13-16-24)14-17-27(23-8-4-3-5-9-23)29(32)30(20-25-10-6-18-33-25)21-26-11-7-19-34-26;2*1-30(2)27(32)23-14-12-21(13-15-23)18-29-26(22-8-4-3-5-9-22)28(33)31(19-24-10-6-16-34-24)20-25-11-7-17-35-25;2*1-20(31)29-23-13-11-21(12-14-23)17-28-26(22-7-3-2-4-8-22)27(32)30(18-24-9-5-15-33-24)19-25-10-6-16-34-25/h2*3-13,15-16,18-19,27H,2,14,17,20-21H2,1H3;2*3-17,26,29H,18-20H2,1-2H3;2*2-16,26,28H,17-19H2,1H3,(H,29,31)/t2*27-;4*26-/m101010/s1
InChIKeyMZRQHMIHCYWQIK-WHMXFSILSA-N
MW2865.69 g/mol
LogP34.68
Rot. Bonds62

About (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide

(2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 159718164) has the molecular formula C168H170N14O18S6 and a molecular weight of 2865.69 g/mol. Its IUPAC name is (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name(2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID159718164
Molecular FormulaC168H170N14O18S6
Molecular Weight2865.69 g/mol
Exact Mass2863.11
IUPAC Name(2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1ccc(CN[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CC(=O)Nc1ccc(CN[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CCC(=O)c1ccc(CC[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CCC(=O)c1ccc(CC[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CN(C)C(=O)c1ccc(CN[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CN(C)C(=O)c1ccc(CN[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/2C29H29NO3S.2C28H29N3O3S.2C27H27N3O3S/c2*1-2-28(31)24-15-12-22(13-16-24)14-17-27(23-8-4-3-5-9-23)29(32)30(20-25-10-6-18-33-25)21-26-11-7-19-34-26;2*1-30(2)27(32)23-14-12-21(13-15-23)18-29-26(22-8-4-3-5-9-22)28(33)31(19-24-10-6-16-34-24)20-25-11-7-17-35-25;2*1-20(31)29-23-13-11-21(12-14-23)17-28-26(22-7-3-2-4-8-22)27(32)30(18-24-9-5-15-33-24)19-25-10-6-16-34-25/h2*3-13,15-16,18-19,27H,2,14,17,20-21H2,1H3;2*3-17,26,29H,18-20H2,1-2H3;2*2-16,26,28H,17-19H2,1H3,(H,29,31)/t2*27-;4*26-/m101010/s1
InChIKeyMZRQHMIHCYWQIK-WHMXFSILSA-N
XLogP34.68
TPSA381.78 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds62
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002865.69
LogP ≤ 534.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide (CID 159718164) is (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide is CC(=O)Nc1ccc(CN[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CC(=O)Nc1ccc(CN[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CCC(=O)c1ccc(CC[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CCC(=O)c1ccc(CC[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CN(C)C(=O)c1ccc(CN[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.CN(C)C(=O)c1ccc(CN[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is MZRQHMIHCYWQIK-WHMXFSILSA-N. The full InChI is InChI=1S/2C29H29NO3S.2C28H29N3O3S.2C27H27N3O3S/c2*1-2-28(31)24-15-12-22(13-16-24)14-17-27(23-8-4-3-5-9-23)29(32)30(20-25-10-6-18-33-25)21-26-11-7-19-34-26;2*1-30(2)27(32)23-14-12-21(13-15-23)18-29-26(22-8-4-3-5-9-22)28(33)31(19-24-10-6-16-34-24)20-25-11-7-17-35-25;2*1-20(31)29-23-13-11-21(12-14-23)17-28-26(22-7-3-2-4-8-22)27(32)30(18-24-9-5-15-33-24)19-25-10-6-16-34-25/h2*3-13,15-16,18-19,27H,2,14,17,20-21H2,1H3;2*3-17,26,29H,18-20H2,1-2H3;2*2-16,26,28H,17-19H2,1H3,(H,29,31)/t2*27-;4*26-/m101010/s1.
What are the key properties of (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide?
(2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 2865.69 g/mol, XLogP of 34.68, 62 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-[(4-acetamidophenyl)methylamino]-N-(furan-2-ylmethyl)-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;(2S)-N-(furan-2-ylmethyl)-2-phenyl-4-(4-propanoylphenyl)-N-(thiophen-2-ylmethyl)butanamide;4-[[[(1R)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide;4-[[[(1S)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-phenylethyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 159718164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).