COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK140636
Chemical Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-{[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
Smiles: Clc1ccc(c(c1)Cl)c1[nH]ncc1CN1CCN(CC1)Cc1ccc2c(c1)OCO2

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Saltdata: C2H2O4
Molecular Weight: 445.35
Empirical Formula: C22H22Cl2N4O2

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 3.382
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 53
Number of rings: 5

     

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