COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838702
Chemical Name: 4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: [O-][N+](=O)c1c(Nc2c(C)n(n(c2=O)c2ccccc2)C)cc(c2c1non2)N1CCCCCC1

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Molecular Weight: 463.5
Empirical Formula: C23H25N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.138
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 123
Number of rings: 5

     

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