4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one

C147H169F5N10O13 — CID 158514435

IUPAC4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(OCC4CCN(C)CC4)cc3)cn2)c1.CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(OCCN4CCCCC4)cc3)cn2)c1.CN1CCC(COc2ccc(-c3ccc(CC(=O)CCc4cccc(F)c4)nc3)cc2)CC1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCCCC3)cc2)cn1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1
InChIInChI=1S/2C32H39FN2O3.2C28H31FN2O2.C27H29FN2O3/c1-23(2)21-37-32-17-25(16-28(33)18-32)4-9-30(36)19-29-8-5-27(20-34-29)26-6-10-31(11-7-26)38-22-24-12-14-35(3)15-13-24;1-24(2)23-38-32-19-25(18-28(33)20-32)6-11-30(36)21-29-10-7-27(22-34-29)26-8-12-31(13-9-26)37-17-16-35-14-4-3-5-15-35;1-31-15-13-22(14-16-31)20-33-28-11-7-23(8-12-28)24-6-9-26(30-19-24)18-27(32)10-5-21-3-2-4-25(29)17-21;29-25-6-4-5-22(19-25)7-12-27(32)20-26-11-8-24(21-30-26)23-9-13-28(14-10-23)33-18-17-31-15-2-1-3-16-31;28-24-3-1-2-21(18-24)4-9-26(31)19-25-8-5-23(20-29-25)22-6-10-27(11-7-22)33-17-14-30-12-15-32-16-13-30/h5-8,10-11,16-18,20,23-24H,4,9,12-15,19,21-22H2,1-3H3;7-10,12-13,18-20,22,24H,3-6,11,14-17,21,23H2,1-2H3;2-4,6-9,11-12,17,19,22H,5,10,13-16,18,20H2,1H3;4-6,8-11,13-14,19,21H,1-3,7,12,15-18,20H2;1-3,5-8,10-11,18,20H,4,9,12-17,19H2
InChIKeyHLLMIXJAEIOYHL-UHFFFAOYSA-N
MW2379.02 g/mol
LogP28.11
Rot. Bonds54

About 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one

4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one (PubChem CID 158514435) has the molecular formula C147H169F5N10O13 and a molecular weight of 2379.02 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one.

Molecular Properties

Compound Name4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one
PubChem CID158514435
Molecular FormulaC147H169F5N10O13
Molecular Weight2379.02 g/mol
Exact Mass2377.28
IUPAC Name4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(OCC4CCN(C)CC4)cc3)cn2)c1.CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(OCCN4CCCCC4)cc3)cn2)c1.CN1CCC(COc2ccc(-c3ccc(CC(=O)CCc4cccc(F)c4)nc3)cc2)CC1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCCCC3)cc2)cn1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1
InChIInChI=1S/2C32H39FN2O3.2C28H31FN2O2.C27H29FN2O3/c1-23(2)21-37-32-17-25(16-28(33)18-32)4-9-30(36)19-29-8-5-27(20-34-29)26-6-10-31(11-7-26)38-22-24-12-14-35(3)15-13-24;1-24(2)23-38-32-19-25(18-28(33)20-32)6-11-30(36)21-29-10-7-27(22-34-29)26-8-12-31(13-9-26)37-17-16-35-14-4-3-5-15-35;1-31-15-13-22(14-16-31)20-33-28-11-7-23(8-12-28)24-6-9-26(30-19-24)18-27(32)10-5-21-3-2-4-25(29)17-21;29-25-6-4-5-22(19-25)7-12-27(32)20-26-11-8-24(21-30-26)23-9-13-28(14-10-23)33-18-17-31-15-2-1-3-16-31;28-24-3-1-2-21(18-24)4-9-26(31)19-25-8-5-23(20-29-25)22-6-10-27(11-7-22)33-17-14-30-12-15-32-16-13-30/h5-8,10-11,16-18,20,23-24H,4,9,12-15,19,21-22H2,1-3H3;7-10,12-13,18-20,22,24H,3-6,11,14-17,21,23H2,1-2H3;2-4,6-9,11-12,17,19,22H,5,10,13-16,18,20H2,1H3;4-6,8-11,13-14,19,21H,1-3,7,12,15-18,20H2;1-3,5-8,10-11,18,20H,4,9,12-17,19H2
InChIKeyHLLMIXJAEIOYHL-UHFFFAOYSA-N
XLogP28.11
TPSA239.84 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds54
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002379.02
LogP ≤ 528.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11591695
N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11627787
4-[3-Fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one
CID 58190125
1-[5-[4-Ethoxy-2-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
CID 58190127
1-[5-(4-Ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]butan-2-one
CID 58190132
1-[5-(4-Ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(3-piperidin-1-ylpropoxy)phenyl]butan-2-one
CID 58190134
1-[5-[4-Ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one
CID 58190141
1-[5-[4-Ethoxy-2-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one
CID 58190143
4-(3-Fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one
CID 58190150
4-[3-Fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]butan-2-one
CID 58190152
4-[3-Fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one
CID 58190166
4-(3-Fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one
CID 58190167

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one?
The IUPAC name of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one (CID 158514435) is 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one.
What is the SMILES notation for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one?
The canonical SMILES for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one is CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(OCC4CCN(C)CC4)cc3)cn2)c1.CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(OCCN4CCCCC4)cc3)cn2)c1.CN1CCC(COc2ccc(-c3ccc(CC(=O)CCc4cccc(F)c4)nc3)cc2)CC1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCCCC3)cc2)cn1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1.
What is the InChIKey of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one?
The InChIKey is HLLMIXJAEIOYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H39FN2O3.2C28H31FN2O2.C27H29FN2O3/c1-23(2)21-37-32-17-25(16-28(33)18-32)4-9-30(36)19-29-8-5-27(20-34-29)26-6-10-31(11-7-26)38-22-24-12-14-35(3)15-13-24;1-24(2)23-38-32-19-25(18-28(33)20-32)6-11-30(36)21-29-10-7-27(22-34-29)26-8-12-31(13-9-26)37-17-16-35-14-4-3-5-15-35;1-31-15-13-22(14-16-31)20-33-28-11-7-23(8-12-28)24-6-9-26(30-19-24)18-27(32)10-5-21-3-2-4-25(29)17-21;29-25-6-4-5-22(19-25)7-12-27(32)20-26-11-8-24(21-30-26)23-9-13-28(14-10-23)33-18-17-31-15-2-1-3-16-31;28-24-3-1-2-21(18-24)4-9-26(31)19-25-8-5-23(20-29-25)22-6-10-27(11-7-22)33-17-14-30-12-15-32-16-13-30/h5-8,10-11,16-18,20,23-24H,4,9,12-15,19,21-22H2,1-3H3;7-10,12-13,18-20,22,24H,3-6,11,14-17,21,23H2,1-2H3;2-4,6-9,11-12,17,19,22H,5,10,13-16,18,20H2,1H3;4-6,8-11,13-14,19,21H,1-3,7,12,15-18,20H2;1-3,5-8,10-11,18,20H,4,9,12-17,19H2.
What are the key properties of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one?
4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one has a molecular weight of 2379.02 g/mol, XLogP of 28.11, 54 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]butan-2-one is sourced from PubChem (CID 158514435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).