COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK422478
Chemical Name: (2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
Smiles: N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)NCCc1ccc(cc1)OC

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Molecular Weight: 384.82
Empirical Formula: C20H17ClN2O4

Physical State: Dry powder
Available Amount: 934 mg

Lipinsky:
logP: 3.715
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 80
Number of rings: 3

     

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