COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406091
Chemical Name: 2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1C1CC1)c1ccc2c(c1)OCCCO2

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Molecular Weight: 490.51
Empirical Formula: C23H21F3N4O3S

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 5.524
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 5

     

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