COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406105
Chemical Name: 2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Smiles: O=C(c1ccc2c(c1)CCCC2)CSc1nnc(n1C1CC1)c1ccc2c(c1)OCCCO2

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Molecular Weight: 461.58
Empirical Formula: C26H27N3O3S

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 6.565
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 6

     

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