COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051328
Chemical Name: 4-methylmorpholin-4-ium3-cyano-6-methyl-4-(3-nitrophenyl)-5-(phenylcarbamoyl)-1,4-dihydropyridine-2-thiolate
Smiles: C[NH+]1CCOCC1.N#CC1=C([S-])NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccccc1)C

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Molecular Weight: 493.59
Empirical Formula: C25H27N5O4S

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 124
Number of rings: 4

     

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