COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406199
Chemical Name: 3-(benzylsulfanyl)-4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazole
Smiles: c1ccc(cc1)CSc1nnc(n1C1CC1)c1ccc2c(c1)OCCCO2

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Molecular Weight: 379.48
Empirical Formula: C21H21N3O2S

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 5.177
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 5

     

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