COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040629
Chemical Name: N-[(3Z)-1-butyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3-nitrobenzamide
Smiles: CCCCn1[nH]/c(=N\C(=O)c2cccc(c2)[N+](=O)[O-])/c2c1nc1c(C)cccc1c2

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Molecular Weight: 403.44
Empirical Formula: C22H21N5O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.645
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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