COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL026566
Chemical Name: 2-({[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: O=C(Nc1sc2c(c1C(=O)N)CCCC2)CN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

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Molecular Weight: 492.04
Empirical Formula: C21H18ClN3O3S3

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 4.448
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 178
Number of rings: 4

     

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