COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538904
Chemical Name: 6-tert-butyl-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: COc1cccc(c1)C(=O)CSc1nc2CCC(Cc2c(c1C#N)c1cccs1)C(C)(C)C

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Molecular Weight: 476.66
Empirical Formula: C27H28N2O2S2

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 7.837
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 116
Number of rings: 4

     

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