COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432605
Chemical Name: butyl2-chloro-5-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Smiles: CCCCOC(=O)c1cc(ccc1Cl)NC(=S)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 461.93
Empirical Formula: C21H20ClN3O5S

Physical State: Dry powder
Available Amount: 206 mg

Lipinsky:
logP: 6.297
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 2

     

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