COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806983
Chemical Name: ethyl2-({[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc3c(s2)cc(cc3)[N+](=O)[O-])sc2c1CCCC2

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Molecular Weight: 477.59
Empirical Formula: C20H19N3O5S3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.603
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 195
Number of rings: 4

     

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