COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514893
Chemical Name: 8'-{[bis(2-methylpropyl)ammonio]methyl}-8-methoxy-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate
Smiles: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2C[NH+](CC(C)C)CC(C)C)[O-]

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Molecular Weight: 477.56
Empirical Formula: C28H31NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.927
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 4

     

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