COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706647
Chemical Name: (2Z)-2-(1H-benzimidazol-2-yl)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1Cl)c1nn(cc1/C=C(\c1nc2c([nH]1)cccc2)/C#N)c1ccccc1

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Saltdata: 1/2CH3COOH
Molecular Weight: 465.94
Empirical Formula: C27H20ClN5O

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: 6.876
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 79
Number of rings: 5

     

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