COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK271772
Chemical Name: (2E)-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3-(4-nitrophenyl)prop-2-enamide
Smiles: COc1cc(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])c(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC

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Molecular Weight: 529.55
Empirical Formula: C29H27N3O7

Physical State: Dry powder
Available Amount: 197 mg

Lipinsky:
logP: 5.412
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 124
Number of rings: 4

     

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