COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052530
Chemical Name: ethyl4-{[(2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}ethyl)carbamothioyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)NCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 456.45
Empirical Formula: C19H19F3N4O4S

Physical State: Dry powder
Available Amount: 395 mg

Lipinsky:
logP: 4.906
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 140
Number of rings: 2

     

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