COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK468364
Chemical Name: (2E)-3-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1c[nH]nc1c1ccc(cc1)Cl)/C(=O)NC(CC(C)(C)C)(C)C

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Molecular Weight: 384.91
Empirical Formula: C21H25ClN4O

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 4.666
Rotatable bonds: 4
H-donors: 2
H-acceptors: 1
PSA: 81
Number of rings: 2

     

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