COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK622465
Chemical Name: 3-(3-ethoxy-3-oxopropyl)-6-({[4-(methoxycarbonyl)phenyl]ammonio}methyl)-4,8-dimethyl-2-oxo-2H-chromen-7-olate
Smiles: CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2C)[O-])C[NH2+]c1ccc(cc1)C(=O)OC

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Saltdata: HCl
Molecular Weight: 453.49
Empirical Formula: C25H27NO7

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 5.397
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 118
Number of rings: 3

     

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