COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL415977
Chemical Name: methyl4-[2-amino-3-cyano-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinolin-4-yl]benzoate
Smiles: N#CC1=C(N)N(Nc2ccccc2)C2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CCC2

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Molecular Weight: 414.46
Empirical Formula: C24H22N4O3

Physical State: Dry powder
Available Amount: 227 mg

Lipinsky:
logP: 3.477
Rotatable bonds: 2
H-donors: 3
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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