COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK387380
Chemical Name: 3-({[1-(butanoylamino)-2,2,2-trichloroethyl]carbamothioyl}amino)benzoicacid
Smiles: CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1cccc(c1)C(=O)O

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Molecular Weight: 412.72
Empirical Formula: C14H16Cl3N3O3S

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 3.795
Rotatable bonds: 6
H-donors: 4
H-acceptors: 3
PSA: 122
Number of rings: 1

     

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