COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512946
Chemical Name: (2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(c(c1)C(=O)/C=C/c1ccc2c(c1)OCCCO2)O

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Molecular Weight: 326.35
Empirical Formula: C19H18O5

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 4.225
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 64
Number of rings: 3

     

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