COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL433576
Chemical Name: (2E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(OC)c2c(c1)OCO2)/c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 369.37
Empirical Formula: C20H19NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.422
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 79
Number of rings: 3

     

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