COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK310524
Chemical Name: 1-[4-(2,6-dichlorobenzyl)piperazin-1-yl]-3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propan-1-one
Smiles: COc1nn(cc1[N+](=O)[O-])CCC(=O)N1CCN(CC1)Cc1c(Cl)cccc1Cl

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Molecular Weight: 442.3
Empirical Formula: C18H21Cl2N5O4

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 2.972
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 96
Number of rings: 3

     

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