(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate

C126H210N30O36 — CID 159975894

About (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate (PubChem CID 159975894) has the molecular formula C126H210N30O36 and a molecular weight of 2742.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate
• PubChem CID: 159975894
• Molecular Formula: C126H210N30O36
• Molecular Weight: 2742.37 g/mol
• Exact Mass: 2740.68
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate
• SMILES: [2H]C([2H])([2H])N1CC(C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON2C(=O)CCC2=O)N(C([2H])([2H])[2H])CC1C.[2H]C([2H])([2H])N1CC(C)N(C)CC1C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON1C(=O)CCC1=O.[2H]C([2H])N1CC(C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON2C(=O)CCC2=O)N(C([2H])([2H])[2H])CC1C.[2H]C([2H])N1CC(C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON2C(=O)CCC2=O)N(C([2H])[2H])CC1C.[2H]C([2H])N1CC(C)N(C)CC1C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON1C(=O)CCC1=O.[2H]CN1CC(C)N(C)CC1C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/6C21H35N5O6/c6*1-14-12-25(5)15(13-24(14)4)21(2,3)20(31)23-10-8-16(27)22-11-9-19(30)32-26-17(28)6-7-18(26)29/h6*14-15H,6-13H2,1-5H3,(H,22,27)(H,23,31)/i4D3,5D3;4D2,5D3;4D2,5D2;5D3;5D2;5D
• InChIKey: OFDNUFOTJJIJPL-ORRMINTHSA-N
• XLogP: -4.40
• TPSA: 770.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 48
• Rotatable Bonds: 63
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2742.37
LogP ≤ 5	-4.40
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate (CID 159975894) is (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate is [2H]C([2H])([2H])N1CC(C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON2C(=O)CCC2=O)N(C([2H])([2H])[2H])CC1C.[2H]C([2H])([2H])N1CC(C)N(C)CC1C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON1C(=O)CCC1=O.[2H]C([2H])N1CC(C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON2C(=O)CCC2=O)N(C([2H])([2H])[2H])CC1C.[2H]C([2H])N1CC(C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON2C(=O)CCC2=O)N(C([2H])[2H])CC1C.[2H]C([2H])N1CC(C)N(C)CC1C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON1C(=O)CCC1=O.[2H]CN1CC(C)N(C)CC1C(C)(C)C(=O)NCCC(=O)NCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate?

The InChIKey is OFDNUFOTJJIJPL-ORRMINTHSA-N. The full InChI is InChI=1S/6C21H35N5O6/c6*1-14-12-25(5)15(13-24(14)4)21(2,3)20(31)23-10-8-16(27)22-11-9-19(30)32-26-17(28)6-7-18(26)29/h6*14-15H,6-13H2,1-5H3,(H,22,27)(H,23,31)/i4D3,5D3;4D2,5D3;4D2,5D2;5D3;5D2;5D.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate has a molecular weight of 2742.37 g/mol, XLogP of -4.40, 63 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-bis(dideuteriomethyl)-5-methylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(deuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1-(dideuteriomethyl)-4,5-dimethylpiperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4-(dideuteriomethyl)-5-methyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[4,5-dimethyl-1-(trideuteriomethyl)piperazin-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-methyl-2-[5-methyl-1,4-bis(trideuteriomethyl)piperazin-2-yl]propanoyl]amino]propanoylamino]propanoate is sourced from PubChem (CID 159975894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).