COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406131
Chemical Name: 1-(1H-indol-3-yl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)c1c[nH]c2c1cccc2

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Molecular Weight: 450.52
Empirical Formula: C23H22N4O4S

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 4.957
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 5

     

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