COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789528
Chemical Name: 5-(3,4-dimethoxyphenyl)-2-{[(3-methyl-4-phenyl-1H-pyrazol-5-yl)amino]methylidene}cyclohexane-1,3-dione
Smiles: COc1cc(ccc1OC)C1CC(=O)/C(=C/Nc2[nH]nc(c2c2ccccc2)C)/C(=O)C1

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Molecular Weight: 431.49
Empirical Formula: C25H25N3O4

Physical State: Dry powder
Available Amount: 230 mg

Lipinsky:
logP: 3.267
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 93
Number of rings: 4

     

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