[4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide

C160H177Cl5FN13O22S2 — CID 167604761

IUPAC[4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide
SMILESCC1CCN(C(=O)c2ccc(COc3ccccc3Cl)cn2)CC1.COc1cc(C(=O)N2CCC(C)CC2)ccc1COc1ccccc1Cl.COc1cc(C(=O)N2CCCCC2)ccc1COc1ncccc1Cl.COc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCCCC2)cc1.COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C)(F)CC2)cc1.COc1ccccc1N(C)C(=O)c1ccc(C(=O)N2CCCCC2)cc1.O=C(c1ccc(CS(=O)(=O)c2ccccc2Cl)cc1)N1CCCCC1.O=C(c1ccc(CS(=O)c2ccccc2Cl)cc1)N1CCCCC1
InChIInChI=1S/C21H24ClNO3.C21H23FN2O3.2C21H24N2O3.C19H21ClN2O3.C19H21ClN2O2.C19H20ClNO3S.C19H20ClNO2S/c1-15-9-11-23(12-10-15)21(24)16-7-8-17(20(13-16)25-2)14-26-19-6-4-3-5-18(19)22;1-21(22)11-13-24(14-12-21)20(26)15-7-9-16(10-8-15)23-19(25)17-5-3-4-6-18(17)27-2;1-22(21(25)18-8-4-5-9-19(18)26-2)17-12-10-16(11-13-17)20(24)23-14-6-3-7-15-23;1-22(18-8-4-5-9-19(18)26-2)20(24)16-10-12-17(13-11-16)21(25)23-14-6-3-7-15-23;1-24-17-12-14(19(23)22-10-3-2-4-11-22)7-8-15(17)13-25-18-16(20)6-5-9-21-18;1-14-8-10-22(11-9-14)19(23)17-7-6-15(12-21-17)13-24-18-5-3-2-4-16(18)20;20-17-6-2-3-7-18(17)25(23,24)14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21;20-17-6-2-3-7-18(17)24(23)14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h3-8,13,15H,9-12,14H2,1-2H3;3-10H,11-14H2,1-2H3,(H,23,25);2*4-5,8-13H,3,6-7,14-15H2,1-2H3;5-9,12H,2-4,10-11,13H2,1H3;2-7,12,14H,8-11,13H2,1H3;2-3,6-11H,1,4-5,12-14H2;2-3,6-11H,1,4-5,12-14H2
InChIKeyKFPINHVTRLWZJH-UHFFFAOYSA-N
MW2894.64 g/mol
LogP32.26
Rot. Bonds34

About [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide

[4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide (PubChem CID 167604761) has the molecular formula C160H177Cl5FN13O22S2 and a molecular weight of 2894.64 g/mol. Its IUPAC name is [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound Name[4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide
PubChem CID167604761
Molecular FormulaC160H177Cl5FN13O22S2
Molecular Weight2894.64 g/mol
Exact Mass2890.10
IUPAC Name[4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide
SMILESCC1CCN(C(=O)c2ccc(COc3ccccc3Cl)cn2)CC1.COc1cc(C(=O)N2CCC(C)CC2)ccc1COc1ccccc1Cl.COc1cc(C(=O)N2CCCCC2)ccc1COc1ncccc1Cl.COc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCCCC2)cc1.COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C)(F)CC2)cc1.COc1ccccc1N(C)C(=O)c1ccc(C(=O)N2CCCCC2)cc1.O=C(c1ccc(CS(=O)(=O)c2ccccc2Cl)cc1)N1CCCCC1.O=C(c1ccc(CS(=O)c2ccccc2Cl)cc1)N1CCCCC1
InChIInChI=1S/C21H24ClNO3.C21H23FN2O3.2C21H24N2O3.C19H21ClN2O3.C19H21ClN2O2.C19H20ClNO3S.C19H20ClNO2S/c1-15-9-11-23(12-10-15)21(24)16-7-8-17(20(13-16)25-2)14-26-19-6-4-3-5-18(19)22;1-21(22)11-13-24(14-12-21)20(26)15-7-9-16(10-8-15)23-19(25)17-5-3-4-6-18(17)27-2;1-22(21(25)18-8-4-5-9-19(18)26-2)17-12-10-16(11-13-17)20(24)23-14-6-3-7-15-23;1-22(18-8-4-5-9-19(18)26-2)20(24)16-10-12-17(13-11-16)21(25)23-14-6-3-7-15-23;1-24-17-12-14(19(23)22-10-3-2-4-11-22)7-8-15(17)13-25-18-16(20)6-5-9-21-18;1-14-8-10-22(11-9-14)19(23)17-7-6-15(12-21-17)13-24-18-5-3-2-4-16(18)20;20-17-6-2-3-7-18(17)25(23,24)14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21;20-17-6-2-3-7-18(17)24(23)14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h3-8,13,15H,9-12,14H2,1-2H3;3-10H,11-14H2,1-2H3,(H,23,25);2*4-5,8-13H,3,6-7,14-15H2,1-2H3;5-9,12H,2-4,10-11,13H2,1H3;2-7,12,14H,8-11,13H2,1H3;2-3,6-11H,1,4-5,12-14H2;2-3,6-11H,1,4-5,12-14H2
InChIKeyKFPINHVTRLWZJH-UHFFFAOYSA-N
XLogP32.26
TPSA383.03 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002894.64
LogP ≤ 532.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide?
The IUPAC name of [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide (CID 167604761) is [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide is CC1CCN(C(=O)c2ccc(COc3ccccc3Cl)cn2)CC1.COc1cc(C(=O)N2CCC(C)CC2)ccc1COc1ccccc1Cl.COc1cc(C(=O)N2CCCCC2)ccc1COc1ncccc1Cl.COc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCCCC2)cc1.COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C)(F)CC2)cc1.COc1ccccc1N(C)C(=O)c1ccc(C(=O)N2CCCCC2)cc1.O=C(c1ccc(CS(=O)(=O)c2ccccc2Cl)cc1)N1CCCCC1.O=C(c1ccc(CS(=O)c2ccccc2Cl)cc1)N1CCCCC1.
What is the InChIKey of [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide?
The InChIKey is KFPINHVTRLWZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3.C21H23FN2O3.2C21H24N2O3.C19H21ClN2O3.C19H21ClN2O2.C19H20ClNO3S.C19H20ClNO2S/c1-15-9-11-23(12-10-15)21(24)16-7-8-17(20(13-16)25-2)14-26-19-6-4-3-5-18(19)22;1-21(22)11-13-24(14-12-21)20(26)15-7-9-16(10-8-15)23-19(25)17-5-3-4-6-18(17)27-2;1-22(21(25)18-8-4-5-9-19(18)26-2)17-12-10-16(11-13-17)20(24)23-14-6-3-7-15-23;1-22(18-8-4-5-9-19(18)26-2)20(24)16-10-12-17(13-11-16)21(25)23-14-6-3-7-15-23;1-24-17-12-14(19(23)22-10-3-2-4-11-22)7-8-15(17)13-25-18-16(20)6-5-9-21-18;1-14-8-10-22(11-9-14)19(23)17-7-6-15(12-21-17)13-24-18-5-3-2-4-16(18)20;20-17-6-2-3-7-18(17)25(23,24)14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21;20-17-6-2-3-7-18(17)24(23)14-15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h3-8,13,15H,9-12,14H2,1-2H3;3-10H,11-14H2,1-2H3,(H,23,25);2*4-5,8-13H,3,6-7,14-15H2,1-2H3;5-9,12H,2-4,10-11,13H2,1H3;2-7,12,14H,8-11,13H2,1H3;2-3,6-11H,1,4-5,12-14H2;2-3,6-11H,1,4-5,12-14H2.
What are the key properties of [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide?
[4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide has a molecular weight of 2894.64 g/mol, XLogP of 32.26, 34 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 167604761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).