benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide

C115H139Cl6F15I2N26O9S2 — CID 157119416

About benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide

benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide (PubChem CID 157119416) has the molecular formula C115H139Cl6F15I2N26O9S2 and a molecular weight of 2845.18 g/mol. Its IUPAC name is benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide.

Molecular Properties

• Compound Name: benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide
• PubChem CID: 157119416
• Molecular Formula: C115H139Cl6F15I2N26O9S2
• Molecular Weight: 2845.18 g/mol
• Exact Mass: 2840.66
• IUPAC Name: benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide
• SMILES: C.C.C.C.C[S+](C)CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F.C[S+](C)CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)O.N[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F.O=C(C[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F)OCc1ccccc1.O=C(O)[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F.O=C1[C@H](Nc2cc(Cl)cc(Cl)c2)CCN1[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F.OCc1ccccc1.[H][H].[I-].[I-]
• InChI: InChI=1S/C24H27Cl2F3N6OS.C22H21Cl2F3N6O.C21H21F3N4O2.C13H13F3N4O2.C12H15Cl2NO2S.C12H14F3N5.C7H8O.4CH4.2HI.H2/c1-37(2)8-5-19(33-16-10-14(25)9-15(26)11-16)23(36)34-20-12-35(7-4-18(20)24(27,28)29)22-17-3-6-30-21(17)31-13-32-22;23-12-7-13(24)9-14(8-12)31-17-3-6-33(21(17)34)18-10-32(5-2-16(18)22(25,26)27)20-15-1-4-28-19(15)29-11-30-20;22-21(23,24)17-7-9-28(20-16-6-8-25-19(16)26-13-27-20)11-15(17)10-18(29)30-12-14-4-2-1-3-5-14;14-13(15,16)9-2-4-20(5-8(9)12(21)22)11-7-1-3-17-10(7)18-6-19-11;1-18(2)4-3-11(12(16)17)15-10-6-8(13)5-9(14)7-10;13-12(14,15)8-2-4-20(5-9(8)16)11-7-1-3-17-10(7)18-6-19-11;8-6-7-4-2-1-3-5-7;;;;;;;/h3,6,9-11,13,18-20,33H,4-5,7-8,12H2,1-2H3,(H-,30,31,32,34,36);1,4,7-9,11,16-18,31H,2-3,5-6,10H2,(H,28,29,30);1-6,8,13,15,17H,7,9-12H2,(H,25,26,27);1,3,6,8-9H,2,4-5H2,(H,21,22)(H,17,18,19);5-7,11,15H,3-4H2,1-2H3;1,3,6,8-9H,2,4-5,16H2,(H,17,18,19);1-5,8H,6H2;4*1H4;3*1H/t18-,19+,20-;16-,17+,18-;15-,17-;8-,9-;11-;8-,9-;;;;;;;;/m000010......../s1
• InChIKey: MTXWQYVBUNVKDI-FRVVEKHKSA-N
• XLogP: 18.54
• TPSA: 456.70 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2845.18
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide?

The IUPAC name of benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide (CID 157119416) is benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide.

What is the SMILES notation for benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide?

The canonical SMILES for benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide is C.C.C.C.C[S+](C)CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F.C[S+](C)CC[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)O.N[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F.O=C(C[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F)OCc1ccccc1.O=C(O)[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F.O=C1[C@H](Nc2cc(Cl)cc(Cl)c2)CCN1[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(F)(F)F.OCc1ccccc1.[H][H].[I-].[I-].

What is the InChIKey of benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide?

The InChIKey is MTXWQYVBUNVKDI-FRVVEKHKSA-N. The full InChI is InChI=1S/C24H27Cl2F3N6OS.C22H21Cl2F3N6O.C21H21F3N4O2.C13H13F3N4O2.C12H15Cl2NO2S.C12H14F3N5.C7H8O.4CH4.2HI.H2/c1-37(2)8-5-19(33-16-10-14(25)9-15(26)11-16)23(36)34-20-12-35(7-4-18(20)24(27,28)29)22-17-3-6-30-21(17)31-13-32-22;23-12-7-13(24)9-14(8-12)31-17-3-6-33(21(17)34)18-10-32(5-2-16(18)22(25,26)27)20-15-1-4-28-19(15)29-11-30-20;22-21(23,24)17-7-9-28(20-16-6-8-25-19(16)26-13-27-20)11-15(17)10-18(29)30-12-14-4-2-1-3-5-14;14-13(15,16)9-2-4-20(5-8(9)12(21)22)11-7-1-3-17-10(7)18-6-19-11;1-18(2)4-3-11(12(16)17)15-10-6-8(13)5-9(14)7-10;13-12(14,15)8-2-4-20(5-9(8)16)11-7-1-3-17-10(7)18-6-19-11;8-6-7-4-2-1-3-5-7;;;;;;;/h3,6,9-11,13,18-20,33H,4-5,7-8,12H2,1-2H3,(H-,30,31,32,34,36);1,4,7-9,11,16-18,31H,2-3,5-6,10H2,(H,28,29,30);1-6,8,13,15,17H,7,9-12H2,(H,25,26,27);1,3,6,8-9H,2,4-5H2,(H,21,22)(H,17,18,19);5-7,11,15H,3-4H2,1-2H3;1,3,6,8-9H,2,4-5,16H2,(H,17,18,19);1-5,8H,6H2;4*1H4;3*1H/t18-,19+,20-;16-,17+,18-;15-,17-;8-,9-;11-;8-,9-;;;;;;;;/m000010......../s1.

What are the key properties of benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide?

benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide has a molecular weight of 2845.18 g/mol, XLogP of 18.54, 27 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]acetate;[(3R)-3-carboxy-3-(3,5-dichloroanilino)propyl]-dimethylsulfanium;[(3R)-3-(3,5-dichloroanilino)-4-oxo-4-[[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]amino]butyl]-dimethylsulfanium;(3R)-3-(3,5-dichloroanilino)-1-[(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-yl]pyrrolidin-2-one;methane;molecular hydrogen;phenylmethanol;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidin-3-amine;(3R,4S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(trifluoromethyl)piperidine-3-carboxylic acid;diiodide is sourced from PubChem (CID 157119416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).