COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK668307
Chemical Name: (4E)-2-(4-chlorophenyl)-4-{[(2,4-dimethyl-6-nitrophenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)N1N=C(/C(=C\Nc2c(C)cc(cc2[N+](=O)[O-])C)/C1=O)C

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Molecular Weight: 384.82
Empirical Formula: C19H17ClN4O3

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 3.979
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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