COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK742000
Chemical Name: 2-{[(2,4-dichlorophenyl)amino]methylidene}-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione
Smiles: COc1cc(ccc1OC)C1CC(=O)/C(=C/Nc2ccc(cc2Cl)Cl)/C(=O)C1

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Molecular Weight: 420.29
Empirical Formula: C21H19Cl2NO4

Physical State: Dry powder
Available Amount: 215 mg

Lipinsky:
logP: 3.588
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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