COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK423612
Chemical Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
Smiles: CCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C#N)CCC(C2)C(C)(C)C

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Molecular Weight: 509.67
Empirical Formula: C31H31N3O2S

Physical State: Dry powder
Available Amount: 4840 mg

Lipinsky:
logP: 8.159
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 5

     

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