COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055227
Chemical Name: 2-amino-4-(2-chlorophenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccccc1Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 448.91
Empirical Formula: C24H21ClN4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.879
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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