COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL033745
Chemical Name: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-7,8-dihydroxy-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)c(O)c(cc2)O

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Saltdata: 2HCl
Molecular Weight: 410.43
Empirical Formula: C22H22N2O6

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 2.251
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 91
Number of rings: 5

     

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