COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK969074
Chemical Name: 4-(3-chlorophenyl)-3-cyano-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridine-2-thiolate
Smiles: COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)Cl)C#N)[S-]

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Saltdata: cyClo-C5H12N+
Molecular Weight: 319.79
Empirical Formula: C15H12ClN2O2S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 3.008
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 62
Number of rings: 2

     

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