dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane

C107H142Br2Cl8Li2N10O18Si4 — CID 157450007

About dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane

dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane (PubChem CID 157450007) has the molecular formula C107H142Br2Cl8Li2N10O18Si4 and a molecular weight of 2426.02 g/mol. Its IUPAC name is dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane
• PubChem CID: 157450007
• Molecular Formula: C107H142Br2Cl8Li2N10O18Si4
• Molecular Weight: 2426.02 g/mol
• Exact Mass: 2418.58
• IUPAC Name: dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCc1[c-]cc(Cl)cc1.CC(C)(C)[Si](C)(C)OCc1ccc(Cl)cc1Br.CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)c1cc(Cl)ccc1CO[Si](C)(C)C(C)(C)C)O[C@H]2n1ccc2c(Cl)ncnc21.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3c(Cl)ncnc31)O[C@@H]2[C@H](O)c1cc(Cl)ccc1CO[Si](C)(C)C(C)(C)C.CON(C)C(=O)[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21.OCc1ccc(Cl)cc1Br.[CH2-]CCC.[Li+].[Li+]
• InChI: InChI=1S/C27H35Cl2N3O5Si.C27H33Cl2N3O5Si.C16H19ClN4O5.C13H20BrClOSi.C13H20ClOSi.C7H6BrClO.C4H9.2Li/c2*1-26(2,3)38(6,7)34-13-15-8-9-16(28)12-18(15)19(33)20-21-22(37-27(4,5)36-21)25(35-20)32-11-10-17-23(29)30-14-31-24(17)32;1-16(2)25-9-10(14(22)20(3)23-4)24-15(11(9)26-16)21-6-5-8-12(17)18-7-19-13(8)21;1-13(2,3)17(4,5)16-9-10-6-7-11(15)8-12(10)14;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;8-7-3-6(9)2-1-5(7)4-10;1-3-4-2;;/h8-12,14,19-22,25,33H,13H2,1-7H3;8-12,14,20-22,25H,13H2,1-7H3;5-7,9-11,15H,1-4H3;6-8H,9H2,1-5H3;6,8-9H,10H2,1-5H3;1-3,10H,4H2;1,3-4H2,2H3;;/q;;;;-1;;-1;2*+1/t19-,20-,21-,22-,25-;20-,21-,22-,25-;9-,10+,11-,15-;;;;;;/m111....../s1
• InChIKey: KJVITMQKSVNUJG-OWXZRIABSA-N
• XLogP: 23.00
• TPSA: 299.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2426.02
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane?

The IUPAC name of dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane (CID 157450007) is dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane.

What is the SMILES notation for dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane?

The canonical SMILES for dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1[c-]cc(Cl)cc1.CC(C)(C)[Si](C)(C)OCc1ccc(Cl)cc1Br.CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)c1cc(Cl)ccc1CO[Si](C)(C)C(C)(C)C)O[C@H]2n1ccc2c(Cl)ncnc21.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3c(Cl)ncnc31)O[C@@H]2[C@H](O)c1cc(Cl)ccc1CO[Si](C)(C)C(C)(C)C.CON(C)C(=O)[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21.OCc1ccc(Cl)cc1Br.[CH2-]CCC.[Li+].[Li+].

What is the InChIKey of dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane?

The InChIKey is KJVITMQKSVNUJG-OWXZRIABSA-N. The full InChI is InChI=1S/C27H35Cl2N3O5Si.C27H33Cl2N3O5Si.C16H19ClN4O5.C13H20BrClOSi.C13H20ClOSi.C7H6BrClO.C4H9.2Li/c2*1-26(2,3)38(6,7)34-13-15-8-9-16(28)12-18(15)19(33)20-21-22(37-27(4,5)36-21)25(35-20)32-11-10-17-23(29)30-14-31-24(17)32;1-16(2)25-9-10(14(22)20(3)23-4)24-15(11(9)26-16)21-6-5-8-12(17)18-7-19-13(8)21;1-13(2,3)17(4,5)16-9-10-6-7-11(15)8-12(10)14;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;8-7-3-6(9)2-1-5(7)4-10;1-3-4-2;;/h8-12,14,19-22,25,33H,13H2,1-7H3;8-12,14,20-22,25H,13H2,1-7H3;5-7,9-11,15H,1-4H3;6-8H,9H2,1-5H3;6,8-9H,10H2,1-5H3;1-3,10H,4H2;1,3-4H2,2H3;;/q;;;;-1;;-1;2*+1/t19-,20-,21-,22-,25-;20-,21-,22-,25-;9-,10+,11-,15-;;;;;;/m111....../s1.

What are the key properties of dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane?

dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane has a molecular weight of 2426.02 g/mol, XLogP of 23.00, 23 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorophenyl]methanone;(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide;(2-bromo-4-chlorophenyl)methanol;(2-bromo-4-chlorophenyl)methoxy-tert-butyl-dimethylsilane;butane;tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 157450007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).