COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL300980
Chemical Name: (4-benzylpiperazin-1-yl){4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone
Smiles: O=C(c1ccc(cc1)Cn1cc(c(n1)[N+](=O)[O-])Cl)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 439.9
Empirical Formula: C22H22ClN5O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.088
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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