COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143106
Chemical Name: (4Z)-4-{[(3-chlorophenyl)amino]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cccc(c1)N/C=C/1\C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 418.84
Empirical Formula: C22H15ClN4O3

Physical State: Dry powder
Available Amount: 183 mg

Lipinsky:
logP: 4.04
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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