COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019798
Chemical Name: (2E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Smiles: CCOc1cc(/C=C(/C(=O)N2CCN(CC2)c2ccccc2)\C#N)cc(c1O)Cl

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Molecular Weight: 411.89
Empirical Formula: C22H22ClN3O3

Physical State: Dry powder
Available Amount: 298 mg

Lipinsky:
logP: 3.148
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 76
Number of rings: 3

     

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