COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK578571
Chemical Name: (4E)-4-{[(3-chloro-4-nitrophenyl)amino]methylidene}-2-(3,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1/C(=C/Nc2ccc(c(c2)Cl)[N+](=O)[O-])/c2ccccc2C(=O)N1c1ccc(c(c1)C)C

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Molecular Weight: 447.88
Empirical Formula: C24H18ClN3O4

Physical State: Dry powder
Available Amount: 275 mg

Lipinsky:
logP: 6.034
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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