COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK010622
Chemical Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione
Smiles: O=C1C(=C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)C(=O)c2c1cccc2)Cl

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Molecular Weight: 410.86
Empirical Formula: C22H19ClN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.864
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 59
Number of rings: 5

     

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