3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine

C199H155F12N21O — CID 157116100

IUPAC3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1nc2c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccnc2n1-c1ccc(-c2ccccc2)c(C(F)(F)F)c1.CN(C)c1nc2c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccnc2n1-c1ccc(-c2ccccc2)c(C(F)(F)F)c1.CN(C)c1nc2c(-c3ccc(-c4ccccc4)cc3)ccnc2n1-c1ccc(-c2ccccc2)cc1.COc1nc2c(-c3ccc(-c4ccccc4)cc3)ccnc2n1-c1ccc(-c2ccccc2)cc1.Cc1cc(-c2ccnc3c2nc(N(C)C)n3-c2ccc(-c3ccccc3)c(C)c2)ccc1-c1ccccc1.Cc1cc(-c2ccnc3c2ncn3-c2ccc(-c3ccccc3)c(C)c2)ccc1-c1ccccc1
InChIInChI=1S/C36H27F6N3.C34H24F6N4.C34H30N4.C32H26N4.C32H25N3.C31H23N3O/c1-34(2,3)33-44-31-28(24-14-16-26(22-10-6-4-7-11-22)29(20-24)35(37,38)39)18-19-43-32(31)45(33)25-15-17-27(23-12-8-5-9-13-23)30(21-25)36(40,41)42;1-43(2)32-42-30-27(23-13-15-25(21-9-5-3-6-10-21)28(19-23)33(35,36)37)17-18-41-31(30)44(32)24-14-16-26(22-11-7-4-8-12-22)29(20-24)34(38,39)40;1-23-21-27(15-17-29(23)25-11-7-5-8-12-25)31-19-20-35-33-32(31)36-34(37(3)4)38(33)28-16-18-30(24(2)22-28)26-13-9-6-10-14-26;1-35(2)32-34-30-29(27-15-13-25(14-16-27)23-9-5-3-6-10-23)21-22-33-31(30)36(32)28-19-17-26(18-20-28)24-11-7-4-8-12-24;1-22-19-26(13-15-28(22)24-9-5-3-6-10-24)30-17-18-33-32-31(30)34-21-35(32)27-14-16-29(23(2)20-27)25-11-7-4-8-12-25;1-35-31-33-29-28(26-14-12-24(13-15-26)22-8-4-2-5-9-22)20-21-32-30(29)34(31)27-18-16-25(17-19-27)23-10-6-3-7-11-23/h4-21H,1-3H3;3-20H,1-2H3;5-22H,1-4H3;3-22H,1-2H3;3-21H,1-2H3;2-21H,1H3
InChIKeyAHKQLMAYDYWGHN-UHFFFAOYSA-N
MW3084.55 g/mol
LogP51.34
Rot. Bonds28

About 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine

3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine (PubChem CID 157116100) has the molecular formula C199H155F12N21O and a molecular weight of 3084.55 g/mol. Its IUPAC name is 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine
PubChem CID157116100
Molecular FormulaC199H155F12N21O
Molecular Weight3084.55 g/mol
Exact Mass3082.25
IUPAC Name3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1nc2c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccnc2n1-c1ccc(-c2ccccc2)c(C(F)(F)F)c1.CN(C)c1nc2c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccnc2n1-c1ccc(-c2ccccc2)c(C(F)(F)F)c1.CN(C)c1nc2c(-c3ccc(-c4ccccc4)cc3)ccnc2n1-c1ccc(-c2ccccc2)cc1.COc1nc2c(-c3ccc(-c4ccccc4)cc3)ccnc2n1-c1ccc(-c2ccccc2)cc1.Cc1cc(-c2ccnc3c2nc(N(C)C)n3-c2ccc(-c3ccccc3)c(C)c2)ccc1-c1ccccc1.Cc1cc(-c2ccnc3c2ncn3-c2ccc(-c3ccccc3)c(C)c2)ccc1-c1ccccc1
InChIInChI=1S/C36H27F6N3.C34H24F6N4.C34H30N4.C32H26N4.C32H25N3.C31H23N3O/c1-34(2,3)33-44-31-28(24-14-16-26(22-10-6-4-7-11-22)29(20-24)35(37,38)39)18-19-43-32(31)45(33)25-15-17-27(23-12-8-5-9-13-23)30(21-25)36(40,41)42;1-43(2)32-42-30-27(23-13-15-25(21-9-5-3-6-10-21)28(19-23)33(35,36)37)17-18-41-31(30)44(32)24-14-16-26(22-11-7-4-8-12-22)29(20-24)34(38,39)40;1-23-21-27(15-17-29(23)25-11-7-5-8-12-25)31-19-20-35-33-32(31)36-34(37(3)4)38(33)28-16-18-30(24(2)22-28)26-13-9-6-10-14-26;1-35(2)32-34-30-29(27-15-13-25(14-16-27)23-9-5-3-6-10-23)21-22-33-31(30)36(32)28-19-17-26(18-20-28)24-11-7-4-8-12-24;1-22-19-26(13-15-28(22)24-9-5-3-6-10-24)30-17-18-33-32-31(30)34-21-35(32)27-14-16-29(23(2)20-27)25-11-7-4-8-12-25;1-35-31-33-29-28(26-14-12-24(13-15-26)22-8-4-2-5-9-22)20-21-32-30(29)34(31)27-18-16-25(17-19-27)23-10-6-3-7-11-23/h4-21H,1-3H3;3-20H,1-2H3;5-22H,1-4H3;3-22H,1-2H3;3-21H,1-2H3;2-21H,1H3
InChIKeyAHKQLMAYDYWGHN-UHFFFAOYSA-N
XLogP51.34
TPSA203.21 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003084.55
LogP ≤ 551.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine 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

[Fe(TpCF3PP)(NO)(1-MeIm)]
CID 139115160
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 20606860
2-[3,5-Bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine
CID 23391288
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine
CID 23391300
4-[2,5-Dimethyl-4-[8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl]-8-[4-(trifluoromethyl)phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344196
N,N-dimethyl-3,7-bis[3-methyl-4-phenyl-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 59346166
N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 59346179
2-Tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 59346181
3-Phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine
CID 59855600
Methyl 4-(7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;2,2,2-trifluoro-1-[4-(7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 87559297
1-(3-Methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]imidazo[4,5-b]pyridine
CID 89758127
13-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-2-[4-(2-pyridin-2-ylquinolin-4-yl)phenyl]fluoren-4-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene
CID 134274450

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine (CID 157116100) is 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine is CC(C)(C)c1nc2c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccnc2n1-c1ccc(-c2ccccc2)c(C(F)(F)F)c1.CN(C)c1nc2c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccnc2n1-c1ccc(-c2ccccc2)c(C(F)(F)F)c1.CN(C)c1nc2c(-c3ccc(-c4ccccc4)cc3)ccnc2n1-c1ccc(-c2ccccc2)cc1.COc1nc2c(-c3ccc(-c4ccccc4)cc3)ccnc2n1-c1ccc(-c2ccccc2)cc1.Cc1cc(-c2ccnc3c2nc(N(C)C)n3-c2ccc(-c3ccccc3)c(C)c2)ccc1-c1ccccc1.Cc1cc(-c2ccnc3c2ncn3-c2ccc(-c3ccccc3)c(C)c2)ccc1-c1ccccc1.
What is the InChIKey of 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is AHKQLMAYDYWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27F6N3.C34H24F6N4.C34H30N4.C32H26N4.C32H25N3.C31H23N3O/c1-34(2,3)33-44-31-28(24-14-16-26(22-10-6-4-7-11-22)29(20-24)35(37,38)39)18-19-43-32(31)45(33)25-15-17-27(23-12-8-5-9-13-23)30(21-25)36(40,41)42;1-43(2)32-42-30-27(23-13-15-25(21-9-5-3-6-10-21)28(19-23)33(35,36)37)17-18-41-31(30)44(32)24-14-16-26(22-11-7-4-8-12-22)29(20-24)34(38,39)40;1-23-21-27(15-17-29(23)25-11-7-5-8-12-25)31-19-20-35-33-32(31)36-34(37(3)4)38(33)28-16-18-30(24(2)22-28)26-13-9-6-10-14-26;1-35(2)32-34-30-29(27-15-13-25(14-16-27)23-9-5-3-6-10-23)21-22-33-31(30)36(32)28-19-17-26(18-20-28)24-11-7-4-8-12-24;1-22-19-26(13-15-28(22)24-9-5-3-6-10-24)30-17-18-33-32-31(30)34-21-35(32)27-14-16-29(23(2)20-27)25-11-7-4-8-12-25;1-35-31-33-29-28(26-14-12-24(13-15-26)22-8-4-2-5-9-22)20-21-32-30(29)34(31)27-18-16-25(17-19-27)23-10-6-3-7-11-23/h4-21H,1-3H3;3-20H,1-2H3;5-22H,1-4H3;3-22H,1-2H3;3-21H,1-2H3;2-21H,1H3.
What are the key properties of 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine?
3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 3084.55 g/mol, XLogP of 51.34, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 157116100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).