COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL453270
Chemical Name: N-{4-[(1-ethyl-1H-pyrrol-2-yl)methyl]-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl}-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Smiles: CCn1cccc1Cn1nc(sc1=S)NC(=O)c1ccc2c(c1)OCCCO2

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Molecular Weight: 416.52
Empirical Formula: C19H20N4O3S2

Available Amount: 0 mg

Lipinsky:
logP: 2.551
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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