COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809760
Chemical Name: 4-{[(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbonyl]amino}ethyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1Cl)Cl)Nc1ccc(cc1)C(=O)O

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Molecular Weight: 515.63
Empirical Formula: C17H12Cl5N3O3S

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 5.674
Rotatable bonds: 4
H-donors: 4
H-acceptors: 3
PSA: 122
Number of rings: 2

     

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