COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838760
Chemical Name: 2-[(cyanomethyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(propan-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)C(C)C

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Molecular Weight: 315.44
Empirical Formula: C17H21N3OS

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 2.194
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 101
Number of rings: 2

     

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