COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL497545
Chemical Name: (2E)-3-{4-chloro-3-[(propanoylcarbamothioyl)amino]phenyl}prop-2-enoicacid
Smiles: CCC(=O)NC(=S)Nc1cc(/C=C/C(=O)O)ccc1Cl

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Molecular Weight: 312.78
Empirical Formula: C13H13ClN2O3S

Physical State: Dry powder
Available Amount: 270 mg

Lipinsky:
logP: 2.226
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 110
Number of rings: 1

     

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