COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059042
Chemical Name: 2'-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7',7'-dimethyl-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC2=C(C31CCCCC3)C(=O)CC(C2)(C)C

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Molecular Weight: 455.02
Empirical Formula: C25H27ClN2O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.545
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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