COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789529
Chemical Name: 2-({[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]amino}methylidene)-5-(4-fluorophenyl)cyclohexane-1,3-dione
Smiles: Fc1ccc(cc1)C1CC(=O)/C(=C/Nc2[nH]nc(c2c2ccc(cc2)Cl)C)/C(=O)C1

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Molecular Weight: 423.87
Empirical Formula: C23H19ClFN3O2

Physical State: Dry powder
Available Amount: 256 mg

Lipinsky:
logP: 4.152
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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