COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295738
Chemical Name: 2-[5-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-methylbenzyl]-1H-isoindole-1,3(2H)-dione
Smiles: Clc1ccc(cc1)N1N=C(/C(=C\Nc2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)C)/C1=O)C

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Molecular Weight: 484.94
Empirical Formula: C27H21ClN4O3

Physical State: Dry powder
Available Amount: 266 mg

Lipinsky:
logP: 4.382
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 5

     

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