COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK597946
Chemical Name: 8-(azepanium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromen-7-olate
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2C[NH+]1CCCCCC1)[O-]

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Molecular Weight: 409.48
Empirical Formula: C24H27NO5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.944
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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