COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406021
Chemical Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CSc1nnc(n1C)c1ccc2c(c1)OCCCO2

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Molecular Weight: 498.91
Empirical Formula: C21H18ClF3N4O3S

Physical State: Dry powder
Available Amount: 23 mg

Lipinsky:
logP: 6.655
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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