COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK249108
Chemical Name: (2E)-3-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}-2-[(4-methylphenyl)carbonyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1Cl)Cl)/C(=O)c1ccc(cc1)C

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Molecular Weight: 452.34
Empirical Formula: C25H19Cl2NO3

Physical State: Dry powder
Available Amount: 236 mg

Lipinsky:
logP: 6.81
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 3

     

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