COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL323579
Chemical Name: tert-butyl5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(S)NC(=C(C1c1cccs1)C(=O)OC(C)(C)C)C

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Saltdata: cyClo-{NH(CH2)2O(CH2)2}
Molecular Weight: 334.46
Empirical Formula: C16H18N2O2S2

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 3.319
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 129
Number of rings: 2

     

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