COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514445
Chemical Name: 3-(3,4-dimethoxyphenyl)-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2C[NH+]1CCCC1)[O-]

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Molecular Weight: 381.43
Empirical Formula: C22H23NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.815
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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