COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826640
Chemical Name: methyl4-({[3-cyano-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}methyl)benzoate
Smiles: COC(=O)c1ccc(cc1)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1cccnc1

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Molecular Weight: 431.52
Empirical Formula: C24H21N3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.312
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 117
Number of rings: 4

     

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