COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149768
Chemical Name: (4Z)-4-(1-{[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}ethylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(c(c1)Cl)Cn1nc(c(c1C)N/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/C)C

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Molecular Weight: 513.38
Empirical Formula: C24H22Cl2N6O3

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 4.619
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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