N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid

C153H177N9O31S7 — CID 161015841

About N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid

N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid (PubChem CID 161015841) has the molecular formula C153H177N9O31S7 and a molecular weight of 2862.60 g/mol. Its IUPAC name is N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
• PubChem CID: 161015841
• Molecular Formula: C153H177N9O31S7
• Molecular Weight: 2862.60 g/mol
• Exact Mass: 2860.06
• IUPAC Name: N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
• SMILES: CCOC(=O)c1cc(-c2cccs2)c2n1CCc1cc(OC)c(O)cc1-2.CCOC(=O)c1cc(-c2cccs2)c2n1CCc1cc(OC)c(OCCOC3CCCCO3)cc1-2.COc1cc2c(cc1OCCO)-c1c(-c3cccs3)cc(C(=O)N(C)C(C)(C)C)n1CC2.COc1cc2c(cc1OCCOC1CCCCO1)-c1c(-c3cccs3)cc(C(=O)N(C)C(C)(C)C)n1CC2.COc1cc2c(cc1OCCOC1CCCCO1)-c1c(-c3cccs3)cc(C(=O)O)n1CC2.COc1cc2c(cc1OCCOS(C)(=O)=O)-c1c(-c3cccs3)cc(C(=O)N(C)C(C)(C)C)n1CC2
• InChI: InChI=1S/C30H38N2O5S.C27H31NO6S.C26H32N2O6S2.C25H30N2O4S.C25H27NO6S.C20H19NO4S/c1-30(2,3)31(4)29(33)23-18-22(26-9-8-16-38-26)28-21-19-25(24(34-5)17-20(21)11-12-32(23)28)35-14-15-37-27-10-6-7-13-36-27;1-3-31-27(29)21-16-20(24-7-6-14-35-24)26-19-17-23(22(30-2)15-18(19)9-10-28(21)26)32-12-13-34-25-8-4-5-11-33-25;1-26(2,3)27(4)25(29)20-15-19(23-8-7-13-35-23)24-18-16-22(33-11-12-34-36(6,30)31)21(32-5)14-17(18)9-10-28(20)24;1-25(2,3)26(4)24(29)19-14-18(22-7-6-12-32-22)23-17-15-21(31-11-10-28)20(30-5)13-16(17)8-9-27(19)23;1-29-20-13-16-7-8-26-19(25(27)28)14-18(22-5-4-12-33-22)24(26)17(16)15-21(20)30-10-11-32-23-6-2-3-9-31-23;1-3-25-20(23)15-10-14(18-5-4-8-26-18)19-13-11-16(22)17(24-2)9-12(13)6-7-21(15)19/h8-9,16-19,27H,6-7,10-15H2,1-5H3;6-7,14-17,25H,3-5,8-13H2,1-2H3;7-8,13-16H,9-12H2,1-6H3;6-7,12-15,28H,8-11H2,1-5H3;4-5,12-15,23H,2-3,6-11H2,1H3,(H,27,28);4-5,8-11,22H,3,6-7H2,1-2H3
• InChIKey: TXSCYQRDBIQIOJ-UHFFFAOYSA-N
• XLogP: 30.55
• TPSA: 421.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 43
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2862.60
LogP ≤ 5	30.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?

The IUPAC name of N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid (CID 161015841) is N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.

What is the SMILES notation for N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?

The canonical SMILES for N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid is CCOC(=O)c1cc(-c2cccs2)c2n1CCc1cc(OC)c(O)cc1-2.CCOC(=O)c1cc(-c2cccs2)c2n1CCc1cc(OC)c(OCCOC3CCCCO3)cc1-2.COc1cc2c(cc1OCCO)-c1c(-c3cccs3)cc(C(=O)N(C)C(C)(C)C)n1CC2.COc1cc2c(cc1OCCOC1CCCCO1)-c1c(-c3cccs3)cc(C(=O)N(C)C(C)(C)C)n1CC2.COc1cc2c(cc1OCCOC1CCCCO1)-c1c(-c3cccs3)cc(C(=O)O)n1CC2.COc1cc2c(cc1OCCOS(C)(=O)=O)-c1c(-c3cccs3)cc(C(=O)N(C)C(C)(C)C)n1CC2.

What is the InChIKey of N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?

The InChIKey is TXSCYQRDBIQIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O5S.C27H31NO6S.C26H32N2O6S2.C25H30N2O4S.C25H27NO6S.C20H19NO4S/c1-30(2,3)31(4)29(33)23-18-22(26-9-8-16-38-26)28-21-19-25(24(34-5)17-20(21)11-12-32(23)28)35-14-15-37-27-10-6-7-13-36-27;1-3-31-27(29)21-16-20(24-7-6-14-35-24)26-19-17-23(22(30-2)15-18(19)9-10-28(21)26)32-12-13-34-25-8-4-5-11-33-25;1-26(2,3)27(4)25(29)20-15-19(23-8-7-13-35-23)24-18-16-22(33-11-12-34-36(6,30)31)21(32-5)14-17(18)9-10-28(20)24;1-25(2,3)26(4)24(29)19-14-18(22-7-6-12-32-22)23-17-15-21(31-11-10-28)20(30-5)13-16(17)8-9-27(19)23;1-29-20-13-16-7-8-26-19(25(27)28)14-18(22-5-4-12-33-22)24(26)17(16)15-21(20)30-10-11-32-23-6-2-3-9-31-23;1-3-25-20(23)15-10-14(18-5-4-8-26-18)19-13-11-16(22)17(24-2)9-12(13)6-7-21(15)19/h8-9,16-19,27H,6-7,10-15H2,1-5H3;6-7,14-17,25H,3-5,8-13H2,1-2H3;7-8,13-16H,9-12H2,1-6H3;6-7,12-15,28H,8-11H2,1-5H3;4-5,12-15,23H,2-3,6-11H2,1H3,(H,27,28);4-5,8-11,22H,3,6-7H2,1-2H3.

What are the key properties of N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?

N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid has a molecular weight of 2862.60 g/mol, XLogP of 30.55, 43 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-9-(2-hydroxyethoxy)-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;N-tert-butyl-8-methoxy-N-methyl-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide;2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl methanesulfonate;ethyl 9-hydroxy-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;ethyl 8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate;8-methoxy-9-[2-(oxan-2-yloxy)ethoxy]-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid is sourced from PubChem (CID 161015841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).