COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK756955
Chemical Name: methyl2-amino-1-(4-chlorophenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2

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Molecular Weight: 453.88
Empirical Formula: C23H20ClN3O5

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 2.701
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 118
Number of rings: 4

     

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