COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172359
Chemical Name: 2-chloro-3-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}naphthalene-1,4-dione
Smiles: Cc1nn(c(c1)C)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C1=C(Cl)C(=O)c2c(C1=O)cccc2

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Molecular Weight: 491.93
Empirical Formula: C25H22ClN5O4

Physical State: Dry powder
Available Amount: 512 mg

Lipinsky:
logP: 5.462
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 104
Number of rings: 5

     

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