COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472681
Chemical Name: (2E)-2-cyano-N-(3-cyanothiophen-2-yl)-3-{2-[(2,6-dichlorobenzyl)oxy]phenyl}prop-2-enamide
Smiles: N#C/C(=C\c1ccccc1OCc1c(Cl)cccc1Cl)/C(=O)Nc1sccc1C#N

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Molecular Weight: 454.34
Empirical Formula: C22H13Cl2N3O2S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 6.172
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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