COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150017
Chemical Name: (4E)-2-(1H-benzimidazol-2-yl)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=NN(C1=O)c1nc2c([nH]1)cccc2)C)/NCc1ccc2c(c1)OCO2

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Molecular Weight: 389.41
Empirical Formula: C21H19N5O3

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 3.154
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 5

     

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