COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK470399
Chemical Name: (2E)-3-(1-butyl-1,2-dihydroquinolin-4-yl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
Smiles: CCCCN1CC=C(c2c1cccc2)/C=C(/S(=O)(=O)c1ccc(cc1)Cl)\C#N

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Molecular Weight: 412.94
Empirical Formula: C22H21ClN2O2S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 4.946
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 69
Number of rings: 3

     

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