COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957099
Chemical Name: tert-butyl5-cyano-6-hydroxy-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(O)NC(=C(C1c1cccs1)C(=O)OC(C)(C)C)C

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Saltdata: 1,4-thetrahydrothiazine
Molecular Weight: 318.4
Empirical Formula: C16H18N2O3S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.242
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 110
Number of rings: 2

     

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