COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK630095
Chemical Name: 8-[(benzylammonio)methyl]-6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C[NH2+]Cc1ccccc1)[O-])Cl

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Saltdata: HCl
Molecular Weight: 401.85
Empirical Formula: C21H20ClNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.695
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 92
Number of rings: 3

     

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