COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK623937
Chemical Name: 8-{[(3,4-dichlorophenyl)ammonio]methyl}-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]c1ccc(c(c1)Cl)Cl)[O-]

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Saltdata: HCl
Molecular Weight: 422.26
Empirical Formula: C20H17Cl2NO5

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.385
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 92
Number of rings: 3

     

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