3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate

C116H123ClN16O14S3 — CID 159304990

IUPAC3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCn1c(-c2ccc(N(CC)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C28H28N4O2.C23H27N3O3S.C22H24ClN3O3S.C22H23N3O3S.C21H21N3O3/c1-3-17-32-26-18-23(34-2)13-14-24(26)25(19-29)27(32)21-9-11-22(12-10-21)31-28(33)30-16-15-20-7-5-4-6-8-20;1-5-14-25-22-15-19(29-4)12-13-20(22)21(16-24)23(25)17-8-10-18(11-9-17)26(6-2)30(27,28)7-3;1-3-12-26-21-14-18(29-2)9-10-19(21)20(15-24)22(26)16-5-7-17(8-6-16)25-30(27,28)13-4-11-23;1-3-12-25-21-13-17(28-2)8-11-19(21)20(14-23)22(25)15-4-6-16(7-5-15)24-29(26,27)18-9-10-18;1-4-11-24-19-12-16(26-2)9-10-17(19)18(13-22)20(24)14-5-7-15(8-6-14)23-21(25)27-3/h4-14,18H,3,15-17H2,1-2H3,(H2,30,31,33);8-13,15H,5-7,14H2,1-4H3;5-10,14,25H,3-4,11-13H2,1-2H3;4-8,11,13,18,24H,3,9-10,12H2,1-2H3;5-10,12H,4,11H2,1-3H3,(H,23,25)
InChIKeyLBUOZZXXNHERBB-UHFFFAOYSA-N
MW2097.01 g/mol
LogP24.99
Rot. Bonds37

About 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate

3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate (PubChem CID 159304990) has the molecular formula C116H123ClN16O14S3 and a molecular weight of 2097.01 g/mol. Its IUPAC name is 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
PubChem CID159304990
Molecular FormulaC116H123ClN16O14S3
Molecular Weight2097.01 g/mol
Exact Mass2094.83
IUPAC Name3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCn1c(-c2ccc(N(CC)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C28H28N4O2.C23H27N3O3S.C22H24ClN3O3S.C22H23N3O3S.C21H21N3O3/c1-3-17-32-26-18-23(34-2)13-14-24(26)25(19-29)27(32)21-9-11-22(12-10-21)31-28(33)30-16-15-20-7-5-4-6-8-20;1-5-14-25-22-15-19(29-4)12-13-20(22)21(16-24)23(25)17-8-10-18(11-9-17)26(6-2)30(27,28)7-3;1-3-12-26-21-14-18(29-2)9-10-19(21)20(15-24)22(26)16-5-7-17(8-6-16)25-30(27,28)13-4-11-23;1-3-12-25-21-13-17(28-2)8-11-19(21)20(14-23)22(25)15-4-6-16(7-5-15)24-29(26,27)18-9-10-18;1-4-11-24-19-12-16(26-2)9-10-17(19)18(13-22)20(24)14-5-7-15(8-6-14)23-21(25)27-3/h4-14,18H,3,15-17H2,1-2H3,(H2,30,31,33);8-13,15H,5-7,14H2,1-4H3;5-10,14,25H,3-4,11-13H2,1-2H3;4-8,11,13,18,24H,3,9-10,12H2,1-2H3;5-10,12H,4,11H2,1-3H3,(H,23,25)
InChIKeyLBUOZZXXNHERBB-UHFFFAOYSA-N
XLogP24.99
TPSA398.93 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002097.01
LogP ≤ 524.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea
CID 58694419
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;molecular hydrogen
CID 143184904
1-butan-2-yl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]ethanesulfonamide;1-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]-3-methylurea;N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]propane-1-sulfonamide;methane
CID 157457866
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 161097153
N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
CID 162082963
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419
3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 159593330
3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide
CID 158802782
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
CID 159366563
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate
CID 159093726
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 58694504
1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-butyl-3-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]urea;1-butyl-3-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]urea;1-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]carbamate
CID 157387558

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The IUPAC name of 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate (CID 159304990) is 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The canonical SMILES for 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate is CCCn1c(-c2ccc(N(CC)S(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The InChIKey is LBUOZZXXNHERBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.C23H27N3O3S.C22H24ClN3O3S.C22H23N3O3S.C21H21N3O3/c1-3-17-32-26-18-23(34-2)13-14-24(26)25(19-29)27(32)21-9-11-22(12-10-21)31-28(33)30-16-15-20-7-5-4-6-8-20;1-5-14-25-22-15-19(29-4)12-13-20(22)21(16-24)23(25)17-8-10-18(11-9-17)26(6-2)30(27,28)7-3;1-3-12-26-21-14-18(29-2)9-10-19(21)20(15-24)22(26)16-5-7-17(8-6-16)25-30(27,28)13-4-11-23;1-3-12-25-21-13-17(28-2)8-11-19(21)20(14-23)22(25)15-4-6-16(7-5-15)24-29(26,27)18-9-10-18;1-4-11-24-19-12-16(26-2)9-10-17(19)18(13-22)20(24)14-5-7-15(8-6-14)23-21(25)27-3/h4-14,18H,3,15-17H2,1-2H3,(H2,30,31,33);8-13,15H,5-7,14H2,1-4H3;5-10,14,25H,3-4,11-13H2,1-2H3;4-8,11,13,18,24H,3,9-10,12H2,1-2H3;5-10,12H,4,11H2,1-3H3,(H,23,25).
What are the key properties of 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate has a molecular weight of 2097.01 g/mol, XLogP of 24.99, 37 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-ethylethanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;methyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159304990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).