COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK311459
Chemical Name: {4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}{4-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}methanone
Smiles: Cn1ncc(c1)CN1CCN(CC1)C(=O)c1ccc(cc1)Cn1cc(c(n1)[N+](=O)[O-])Cl

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Molecular Weight: 443.89
Empirical Formula: C20H22ClN7O3

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 0.037
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 105
Number of rings: 4

     

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