COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406079
Chemical Name: 1-(azepan-1-yl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: O=C(N1CCCCCC1)CSc1nnc(n1C(C)C)c1ccc2c(c1)OCCCO2

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Molecular Weight: 430.57
Empirical Formula: C22H30N4O3S

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 5.521
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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