COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK280206
Chemical Name: ethyl2-(acetylamino)-6-[(E)-(butylimino)methyl]-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate
Smiles: CCCC/N=C/C1=C(Sc2ccccc2)c2c(CC1)c(c(s2)NC(=O)C)C(=O)OCC

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Molecular Weight: 456.63
Empirical Formula: C24H28N2O3S2

Physical State: Dry powder
Available Amount: 1354 mg

Lipinsky:
logP: 7.996
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 3

     

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