COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL360940
Chemical Name: morpholin-4-ium4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-2-thiolate
Smiles: [NH2+]1CCOCC1.N#CC1=C([S-])NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 431.99
Empirical Formula: C22H26ClN3O2S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 0
Rotatable bonds: 0
H-donors: 3
H-acceptors: 2
PSA: 78
Number of rings: 4

     

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