COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535042
Chemical Name: 2-[(1E)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}prop-1-en-1-yl]-3-nitro-1-benzofuran-5-ol
Smiles: COc1cc(CCN/C(=C/c2oc3c(c2[N+](=O)[O-])cc(cc3)O)/C)ccc1OC

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Molecular Weight: 398.42
Empirical Formula: C21H22N2O6

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 4.134
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 109
Number of rings: 3

     

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