COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473153
Chemical Name: 3-{(1Z)-3-[(1,3-benzodioxol-5-ylmethyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl4-chlorobenzoate
Smiles: N#C/C(=C/c1cccc(c1)OC(=O)c1ccc(cc1)Cl)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 460.87
Empirical Formula: C25H17ClN2O5

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 5.095
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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