COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK715717
Chemical Name: N-[3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl]-3-nitrobenzamide
Smiles: COc1cc(ccc1OC)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc2c(c1=O)cccc2

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Molecular Weight: 462.48
Empirical Formula: C24H18N2O6S

Physical State: Dry powder
Available Amount: 382 mg

Lipinsky:
logP: 3.041
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 135
Number of rings: 4

     

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