COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473861
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-{2-[(2-chlorobenzyl)oxy]phenyl}-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1ccccc1OCc1ccccc1Cl)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 446.89
Empirical Formula: C25H19ClN2O4

Physical State: Dry powder
Available Amount: 287 mg

Lipinsky:
logP: 5.215
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 80
Number of rings: 4

     

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