COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369364
Chemical Name: 4-{[(2,2,2-trichloro-1-{[(2E)-3-phenylprop-2-enoyl]amino}ethyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(Nc1ccc(cc1)C(=O)O)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/c1ccccc1

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Molecular Weight: 472.78
Empirical Formula: C19H16Cl3N3O3S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 5.315
Rotatable bonds: 4
H-donors: 4
H-acceptors: 3
PSA: 122
Number of rings: 2

     

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