COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810617
Chemical Name: (2E)-3-(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-2-[(4-methylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1)/C(=O)N1CCN(CC1)C

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Molecular Weight: 538.05
Empirical Formula: C31H28ClN5O2

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 5.4
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 5

     

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