COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL314275
Chemical Name: N-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl}-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Smiles: COc1ccc(cc1OC)CCc1n[nH]c(n1)NC(=O)c1ccc2c(c1)OCCCO2

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Molecular Weight: 424.46
Empirical Formula: C22H24N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.2
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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