None

AlkaPlorer ID: AK496834

Synonym: None

IUPAC Name: 4-[2-(2,4-diacetamidopteridin-6-yl)ethyl-methylamino]benzoic acid

Structure

SMILES: CC(O)=NC1=NC2=NC=C(CCN(C)C3=CC=C(C(=O)O)C=C3)N=C2C(N=C(C)O)=N1

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InChI: InChI=1S/C20H21N7O4/c1-11(28)22-18-16-17(25-20(26-18)23-12(2)29)21-10-14(24-16)8-9-27(3)15-6-4-13(5-7-15)19(30)31/h4-7,10H,8-9H2,1-3H3,(H,30,31)(H2,21,22,23,25,26,28,29)

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InChIKey: QAQKBFUWWRDARC-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 423.4330000000001

TPSA: 157.28000000000003

MolLogP: 3.0127000000000006

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information