COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585073
Chemical Name: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-6-chloro-7-hydroxy-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)cc(c(c2)Cl)O

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Saltdata: 2 HCl
Molecular Weight: 428.87
Empirical Formula: C22H21ClN2O5

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.466
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 71
Number of rings: 5

     

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