COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL069913
Chemical Name: butyl2-({(2E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/C#N)sc2c1CCCC2

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Molecular Weight: 554.02
Empirical Formula: C27H24ClN3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.673
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 4

     

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