COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058902
Chemical Name: 3'-cyano-5'-(ethoxycarbonyl)-6'-methyl-1',4'-dihydro-3,4'-bipyridine-2'-thiolate
Smiles: CCOC(=O)C1=C(C)NC(=C(C1c1cccnc1)C#N)[S-]

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Saltdata: cyClo-(N+(CH2)2O(CH2)2)
Molecular Weight: 300.36
Empirical Formula: C15H14N3O2S

Physical State: Dry powder
Available Amount: 185 mg

Lipinsky:
logP: 1.452
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 75
Number of rings: 2

     

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