COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK834713
Chemical Name: 2'-(ethylsulfanyl)-7',7'-dimethyl-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile
Smiles: CCSC1=C(C#N)C2(C3=C(N1)CC(C)(C)CC3=O)CCCCC2

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Molecular Weight: 330.49
Empirical Formula: C19H26N2OS

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 3.488
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 3

     

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