COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432604
Chemical Name: propan-2-yl4-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Smiles: CC(OC(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])C

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Molecular Weight: 413.45
Empirical Formula: C20H19N3O5S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.985
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 2

     

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