COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001919
Chemical Name: ethyl7-chloro-6-[(E)-(hydroxyimino)methyl]-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate
Smiles: CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC(=C2Cl)/C=N/O

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Molecular Weight: 384.88
Empirical Formula: C17H21ClN2O4S

Physical State: Dry powder
Available Amount: 2885 mg

Lipinsky:
logP: 6.52
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 2

     

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