1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))

C132H124N20O4Pt4S4 — CID 158783916

IUPAC1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))
SMILESCC(C)(C)c1cc2cc(-n3nc(C(C)(C)c4cc(-c5ccccc5)n(-c5[c-]cc6oc(C(C)(C)C)cc6c5)n4)cc3-c3ccccc3)[c-]cc2o1.CC(C)(C)c1nc2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]cc6sc(C(C)(C)C)nc6c5)n4)n3)[c-]cc2s1.CC(C)(C)c1nc2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]ccc6nc(C(C)(C)C)oc56)n4)n3)[c-]cc2o1.CC(C)(c1ccn(-c2[c-]cc3sccc3c2)n1)c1ccn(-c2[c-]cc3sccc3c2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C45H42N4O2.C31H32N6O2.C31H32N6S2.C25H18N4S2.4Pt/c1-43(2,3)41-25-31-23-33(19-21-37(31)50-41)48-35(29-15-11-9-12-16-29)27-39(46-48)45(7,8)40-28-36(30-17-13-10-14-18-30)49(47-40)34-20-22-38-32(24-34)26-42(51-38)44(4,5)6;1-29(2,3)27-33-21-18-19(12-13-23(21)38-27)36-16-14-24(34-36)31(7,8)25-15-17-37(35-25)22-11-9-10-20-26(22)39-28(32-20)30(4,5)6;1-29(2,3)27-32-21-17-19(9-11-23(21)38-27)36-15-13-25(34-36)31(7,8)26-14-16-37(35-26)20-10-12-24-22(18-20)33-28(39-24)30(4,5)6;1-25(2,23-7-11-28(26-23)19-3-5-21-17(15-19)9-13-30-21)24-8-12-29(27-24)20-4-6-22-18(16-20)10-14-31-22;;;;/h9-18,21-28H,1-8H3;9-10,13-18H,1-8H3;11-18H,1-8H3;5-16H,1-2H3;;;;/q4*-2;4*+2
InChIKeyRNLXMBUQLYWJLA-UHFFFAOYSA-N
MW2963.16 g/mol
LogP32.47
Rot. Bonds18

About 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))

1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+)) (PubChem CID 158783916) has the molecular formula C132H124N20O4Pt4S4 and a molecular weight of 2963.16 g/mol. Its IUPAC name is 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound Name1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))
PubChem CID158783916
Molecular FormulaC132H124N20O4Pt4S4
Molecular Weight2963.16 g/mol
Exact Mass2960.76
IUPAC Name1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))
SMILESCC(C)(C)c1cc2cc(-n3nc(C(C)(C)c4cc(-c5ccccc5)n(-c5[c-]cc6oc(C(C)(C)C)cc6c5)n4)cc3-c3ccccc3)[c-]cc2o1.CC(C)(C)c1nc2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]cc6sc(C(C)(C)C)nc6c5)n4)n3)[c-]cc2s1.CC(C)(C)c1nc2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]ccc6nc(C(C)(C)C)oc56)n4)n3)[c-]cc2o1.CC(C)(c1ccn(-c2[c-]cc3sccc3c2)n1)c1ccn(-c2[c-]cc3sccc3c2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C45H42N4O2.C31H32N6O2.C31H32N6S2.C25H18N4S2.4Pt/c1-43(2,3)41-25-31-23-33(19-21-37(31)50-41)48-35(29-15-11-9-12-16-29)27-39(46-48)45(7,8)40-28-36(30-17-13-10-14-18-30)49(47-40)34-20-22-38-32(24-34)26-42(51-38)44(4,5)6;1-29(2,3)27-33-21-18-19(12-13-23(21)38-27)36-16-14-24(34-36)31(7,8)25-15-17-37(35-25)22-11-9-10-20-26(22)39-28(32-20)30(4,5)6;1-29(2,3)27-32-21-17-19(9-11-23(21)38-27)36-15-13-25(34-36)31(7,8)26-14-16-37(35-26)20-10-12-24-22(18-20)33-28(39-24)30(4,5)6;1-25(2,23-7-11-28(26-23)19-3-5-21-17(15-19)9-13-30-21)24-8-12-29(27-24)20-4-6-22-18(16-20)10-14-31-22;;;;/h9-18,21-28H,1-8H3;9-10,13-18H,1-8H3;11-18H,1-8H3;5-16H,1-2H3;;;;/q4*-2;4*+2
InChIKeyRNLXMBUQLYWJLA-UHFFFAOYSA-N
XLogP32.47
TPSA246.68 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002963.16
LogP ≤ 532.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))?
The IUPAC name of 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+)) (CID 158783916) is 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))?
The canonical SMILES for 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+)) is CC(C)(C)c1cc2cc(-n3nc(C(C)(C)c4cc(-c5ccccc5)n(-c5[c-]cc6oc(C(C)(C)C)cc6c5)n4)cc3-c3ccccc3)[c-]cc2o1.CC(C)(C)c1nc2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]cc6sc(C(C)(C)C)nc6c5)n4)n3)[c-]cc2s1.CC(C)(C)c1nc2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]ccc6nc(C(C)(C)C)oc56)n4)n3)[c-]cc2o1.CC(C)(c1ccn(-c2[c-]cc3sccc3c2)n1)c1ccn(-c2[c-]cc3sccc3c2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))?
The InChIKey is RNLXMBUQLYWJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N4O2.C31H32N6O2.C31H32N6S2.C25H18N4S2.4Pt/c1-43(2,3)41-25-31-23-33(19-21-37(31)50-41)48-35(29-15-11-9-12-16-29)27-39(46-48)45(7,8)40-28-36(30-17-13-10-14-18-30)49(47-40)34-20-22-38-32(24-34)26-42(51-38)44(4,5)6;1-29(2,3)27-33-21-18-19(12-13-23(21)38-27)36-16-14-24(34-36)31(7,8)25-15-17-37(35-25)22-11-9-10-20-26(22)39-28(32-20)30(4,5)6;1-29(2,3)27-32-21-17-19(9-11-23(21)38-27)36-15-13-25(34-36)31(7,8)26-14-16-37(35-26)20-10-12-24-22(18-20)33-28(39-24)30(4,5)6;1-25(2,23-7-11-28(26-23)19-3-5-21-17(15-19)9-13-30-21)24-8-12-29(27-24)20-4-6-22-18(16-20)10-14-31-22;;;;/h9-18,21-28H,1-8H3;9-10,13-18H,1-8H3;11-18H,1-8H3;5-16H,1-2H3;;;;/q4*-2;4*+2.
What are the key properties of 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))?
1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+)) has a molecular weight of 2963.16 g/mol, XLogP of 32.47, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 158783916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).