COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143118
Chemical Name: (4E)-4-{1-[(4-chloro-2-methylphenyl)amino]ethylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(c(c1)C)N/C(=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/C

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Molecular Weight: 384.82
Empirical Formula: C19H17ClN4O3

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 3.946
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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