COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK249102
Chemical Name: 4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]phenyl3,4-dichlorobenzoate
Smiles: N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(c(c1)Cl)Cl)/C(=O)C(C)(C)C

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Molecular Weight: 402.28
Empirical Formula: C21H17Cl2NO3

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 5.859
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 2

     

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