General Information of the Compound
| Compound ID |
CP0543613
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| Compound Name |
8-bromo-1-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
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| Formula |
C21H22BrN5
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| Molecular Weight |
424.346
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| Canonical SMILES |
Brc1ccc-2c(CCCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1
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| InChI |
InChI=1S/C21H22BrN5/c22-17-7-8-18-16(14-17)4-3-6-20-24-25-21(27(18)20)15-9-12-26(13-10-15)19-5-1-2-11-23-19/h1-2,5,7-8,11,14-15H,3-4,6,9-10,12-13H2
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| InChIKey |
BLUORDRJVKGBBI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound