(5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate

C140H184Cl8N16O15S4Si2 — CID 159264230

About (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate

(5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 159264230) has the molecular formula C140H184Cl8N16O15S4Si2 and a molecular weight of 2799.17 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate
• PubChem CID: 159264230
• Molecular Formula: C140H184Cl8N16O15S4Si2
• Molecular Weight: 2799.17 g/mol
• Exact Mass: 2793.01
• IUPAC Name: (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate
• SMILES: CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CCN(C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O.CCN(C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](CC)(CC)CC.CCN(C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1)[C@H]1CN(C)C[C@@H]1O.CCN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](CC)(CC)CC
• InChI: InChI=1S/C39H54Cl2N4O4SSi.C33H40Cl2N4O4S.C29H34Cl2N4O2S.C22H20Cl2N2O2S.C17H36N2O3Si/c1-11-44(30-23-43(37(47)48-38(7,8)9)24-31(30)49-51(12-2,13-3)14-4)35(46)33-32(25(5)6)45-34(26-15-19-28(40)20-16-26)39(10,42-36(45)50-33)27-17-21-29(41)22-18-27;1-8-38(24-17-37(18-25(24)40)31(42)43-32(4,5)6)29(41)27-26(19(2)3)39-28(20-9-13-22(34)14-10-20)33(7,36-30(39)44-27)21-11-15-23(35)16-12-21;1-6-34(22-15-33(5)16-23(22)36)27(37)25-24(17(2)3)35-26(18-7-11-20(30)12-8-18)29(4,32-28(35)38-25)19-9-13-21(31)14-10-19;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-8-18-14-12-19(16(20)21-17(5,6)7)13-15(14)22-23(9-2,10-3)11-4/h15-22,25,30-31,34H,11-14,23-24H2,1-10H3;9-16,19,24-25,28,40H,8,17-18H2,1-7H3;7-14,17,22-23,26,36H,6,15-16H2,1-5H3;4-12,19H,1-3H3,(H,27,28);14-15,18H,8-13H2,1-7H3/t30-,31-,34+,39-;24-,25-,28+,33-;22-,23-,26+,29-;19-,22+;14-,15-/m00010/s1
• InChIKey: KWWXRAIOJLFXEU-GJFKZDJRSA-N
• XLogP: 32.84
• TPSA: 323.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2799.17
LogP ≤ 5	32.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate?

The IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate (CID 159264230) is (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate.

What is the SMILES notation for (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate?

The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate is CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CCN(C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O.CCN(C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](CC)(CC)CC.CCN(C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1)[C@H]1CN(C)C[C@@H]1O.CCN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](CC)(CC)CC.

What is the InChIKey of (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate?

The InChIKey is KWWXRAIOJLFXEU-GJFKZDJRSA-N. The full InChI is InChI=1S/C39H54Cl2N4O4SSi.C33H40Cl2N4O4S.C29H34Cl2N4O2S.C22H20Cl2N2O2S.C17H36N2O3Si/c1-11-44(30-23-43(37(47)48-38(7,8)9)24-31(30)49-51(12-2,13-3)14-4)35(46)33-32(25(5)6)45-34(26-15-19-28(40)20-16-26)39(10,42-36(45)50-33)27-17-21-29(41)22-18-27;1-8-38(24-17-37(18-25(24)40)31(42)43-32(4,5)6)29(41)27-26(19(2)3)39-28(20-9-13-22(34)14-10-20)33(7,36-30(39)44-27)21-11-15-23(35)16-12-21;1-6-34(22-15-33(5)16-23(22)36)27(37)25-24(17(2)3)35-26(18-7-11-20(30)12-8-18)29(4,32-28(35)38-25)19-9-13-21(31)14-10-19;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-8-18-14-12-19(16(20)21-17(5,6)7)13-15(14)22-23(9-2,10-3)11-4/h15-22,25,30-31,34H,11-14,23-24H2,1-10H3;9-16,19,24-25,28,40H,8,17-18H2,1-7H3;7-14,17,22-23,26,36H,6,15-16H2,1-5H3;4-12,19H,1-3H3,(H,27,28);14-15,18H,8-13H2,1-7H3/t30-,31-,34+,39-;24-,25-,28+,33-;22-,23-,26+,29-;19-,22+;14-,15-/m00010/s1.

What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate?

(5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 2799.17 g/mol, XLogP of 32.84, 34 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 159264230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).