COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042530
Chemical Name: N-{2-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(pyrrolidin-1-ylcarbonyl)benzamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1sc2c(n1)ccc(c2)NC(=O)c1ccccc1C(=O)N1CCCC1

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Molecular Weight: 584.64
Empirical Formula: C28H23F3N4O3S2

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: 3.731
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 144
Number of rings: 5

     

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