N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C130H125F10N25O22S5 — CID 158143202

IUPACN-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OC3CCCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OC3CCCCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCC3CCCO3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCC3CCOC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H27F2N5O4S.2C26H25F2N5O5S.C26H25F2N5O4S.C25H23F2N5O4S/c1-15-20-10-16(12-23(25(20)33-27(30)32-15)38-19-6-4-3-5-7-19)17-11-22(26(37-2)31-14-17)34-39(35,36)24-9-8-18(28)13-21(24)29;1-14-19-7-16(9-22(24(19)32-26(29)31-14)38-13-15-5-6-37-12-15)17-8-21(25(36-2)30-11-17)33-39(34,35)23-4-3-18(27)10-20(23)28;1-14-19-8-15(10-22(24(19)32-26(29)31-14)38-13-18-4-3-7-37-18)16-9-21(25(36-2)30-12-16)33-39(34,35)23-6-5-17(27)11-20(23)28;1-14-19-9-15(11-22(24(19)32-26(29)31-14)37-18-5-3-4-6-18)16-10-21(25(36-2)30-13-16)33-38(34,35)23-8-7-17(27)12-20(23)28;1-13-18-8-14(10-21(36-17-4-3-5-17)23(18)31-25(28)30-13)15-9-20(24(35-2)29-12-15)32-37(33,34)22-7-6-16(26)11-19(22)27/h8-14,19,34H,3-7H2,1-2H3,(H2,30,32,33);3-4,7-11,15,33H,5-6,12-13H2,1-2H3,(H2,29,31,32);5-6,8-12,18,33H,3-4,7,13H2,1-2H3,(H2,29,31,32);7-13,18,33H,3-6H2,1-2H3,(H2,29,31,32);6-12,17,32H,3-5H2,1-2H3,(H2,28,30,31)
InChIKeyFUEUPTQWSRGIQY-UHFFFAOYSA-N
MW2739.90 g/mol
LogP23.29
Rot. Bonds37

About N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 158143202) has the molecular formula C130H125F10N25O22S5 and a molecular weight of 2739.90 g/mol. Its IUPAC name is N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID158143202
Molecular FormulaC130H125F10N25O22S5
Molecular Weight2739.90 g/mol
Exact Mass2737.79
IUPAC NameN-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OC3CCCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OC3CCCCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCC3CCCO3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCC3CCOC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H27F2N5O4S.2C26H25F2N5O5S.C26H25F2N5O4S.C25H23F2N5O4S/c1-15-20-10-16(12-23(25(20)33-27(30)32-15)38-19-6-4-3-5-7-19)17-11-22(26(37-2)31-14-17)34-39(35,36)24-9-8-18(28)13-21(24)29;1-14-19-7-16(9-22(24(19)32-26(29)31-14)38-13-15-5-6-37-12-15)17-8-21(25(36-2)30-11-17)33-39(34,35)23-4-3-18(27)10-20(23)28;1-14-19-8-15(10-22(24(19)32-26(29)31-14)38-13-18-4-3-7-37-18)16-9-21(25(36-2)30-12-16)33-39(34,35)23-6-5-17(27)11-20(23)28;1-14-19-9-15(11-22(24(19)32-26(29)31-14)37-18-5-3-4-6-18)16-10-21(25(36-2)30-13-16)33-38(34,35)23-8-7-17(27)12-20(23)28;1-13-18-8-14(10-21(36-17-4-3-5-17)23(18)31-25(28)30-13)15-9-20(24(35-2)29-12-15)32-37(33,34)22-7-6-16(26)11-19(22)27/h8-14,19,34H,3-7H2,1-2H3,(H2,30,32,33);3-4,7-11,15,33H,5-6,12-13H2,1-2H3,(H2,29,31,32);5-6,8-12,18,33H,3-4,7,13H2,1-2H3,(H2,29,31,32);7-13,18,33H,3-6H2,1-2H3,(H2,29,31,32);6-12,17,32H,3-5H2,1-2H3,(H2,28,30,31)
InChIKeyFUEUPTQWSRGIQY-UHFFFAOYSA-N
XLogP23.29
TPSA665.06 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds37
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002739.90
LogP ≤ 523.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 158143202) is N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2cc(OC3CCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OC3CCCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OC3CCCCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCC3CCCO3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCC3CCOC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is FUEUPTQWSRGIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O4S.2C26H25F2N5O5S.C26H25F2N5O4S.C25H23F2N5O4S/c1-15-20-10-16(12-23(25(20)33-27(30)32-15)38-19-6-4-3-5-7-19)17-11-22(26(37-2)31-14-17)34-39(35,36)24-9-8-18(28)13-21(24)29;1-14-19-7-16(9-22(24(19)32-26(29)31-14)38-13-15-5-6-37-12-15)17-8-21(25(36-2)30-11-17)33-39(34,35)23-4-3-18(27)10-20(23)28;1-14-19-8-15(10-22(24(19)32-26(29)31-14)38-13-18-4-3-7-37-18)16-9-21(25(36-2)30-12-16)33-39(34,35)23-6-5-17(27)11-20(23)28;1-14-19-9-15(11-22(24(19)32-26(29)31-14)37-18-5-3-4-6-18)16-10-21(25(36-2)30-13-16)33-38(34,35)23-8-7-17(27)12-20(23)28;1-13-18-8-14(10-21(36-17-4-3-5-17)23(18)31-25(28)30-13)15-9-20(24(35-2)29-12-15)32-37(33,34)22-7-6-16(26)11-19(22)27/h8-14,19,34H,3-7H2,1-2H3,(H2,30,32,33);3-4,7-11,15,33H,5-6,12-13H2,1-2H3,(H2,29,31,32);5-6,8-12,18,33H,3-4,7,13H2,1-2H3,(H2,29,31,32);7-13,18,33H,3-6H2,1-2H3,(H2,29,31,32);6-12,17,32H,3-5H2,1-2H3,(H2,28,30,31).
What are the key properties of N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 2739.90 g/mol, XLogP of 23.29, 37 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(2-amino-8-cyclopentyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-2-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 158143202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).