COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674142
Chemical Name: 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-ylN-acetylmethioninate
Smiles: CSCCC(C(=O)OC(C(=O)Nc1sc2c(c1C#N)CCCC2)CC)NC(=O)C

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Molecular Weight: 437.58
Empirical Formula: C20H27N3O4S2

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 3.326
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 161
Number of rings: 2

     

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