COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700603
Chemical Name: ethyl2-[(4-tert-butylbenzyl)sulfanyl]-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylate
Smiles: CCOC(=O)c1c(C#N)c(SCc2ccc(cc2)C(C)(C)C)nc2c1CCCC2

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Molecular Weight: 408.56
Empirical Formula: C24H28N2O2S

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: 6.694
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 88
Number of rings: 3

     

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