COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK346316
Chemical Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,4,5-triethoxybenzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1sc2c(c1C#N)CCC(C2)C(C)(C)C

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Molecular Weight: 529.72
Empirical Formula: C27H35N3O4S2

Physical State: Dry powder
Available Amount: 253 mg

Lipinsky:
logP: 7.929
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 152
Number of rings: 3

     

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