COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL511992
Chemical Name: (4Z)-4-(4-tert-butylbenzylidene)-2-(3-chlorophenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cccc(c1)N1N=C(/C(=C/c2ccc(cc2)C(C)(C)C)/C1=O)O

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Molecular Weight: 354.84
Empirical Formula: C20H19ClN2O2

Physical State: Dry powder
Available Amount: 237 mg

Lipinsky:
logP: 5.467
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 3

     

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