COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231421
Chemical Name: 3-{[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]amino}-5,5-dimethylcyclohex-2-en-1-one
Smiles: O=C1C=C(Nc2[nH]nc(c2c2ccc(cc2)Cl)C)CC(C1)(C)C

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Molecular Weight: 329.83
Empirical Formula: C18H20ClN3O

Physical State: Dry powder
Available Amount: 71 mg

Lipinsky:
logP: 4.343
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 57
Number of rings: 3

     

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