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Chemical structure of Anticancer agent 230

GC75813

Anticancer agent 230

Also known as 3-[[3-[(4-chlorophenyl)methyl]-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile

Anticancer agent 230 (example 65) is a caseinolytic protease P (ClpP) activator with anticancer activity

ChemicalCAS2485052-87-5MW390.87FormulaC22H19ClN4O
CAS number
2485052-87-5
Molecular weight
390.87
Formula
C22H19ClN4O
Solubility
DMSO： 50 mg/mL (127·92 mM; Need ultrasonic)
InChIKey
JNBDIOOOVLLTKQ-UHFFFAOYSA-N
Catalogue number
GC75813
Brand
GLPBIO
Computed properties PubChem CID 154694481 · XLogP 2.7 · TPSA 59.7 Ų · H-bond donors 0
XLogP
2.7
TPSA
59.7 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28

SMILES C1CN(CC2=C1N=CN(C2=O)CC3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)C#N

Computed descriptors from PubChem (CID 154694481), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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