General Information of the Compound
| Compound ID |
CP0501665
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| Compound Name |
7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine
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| Structure |
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| Formula |
C20H20ClN5O
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| Molecular Weight |
381.867
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| Canonical SMILES |
Clc1cccc-2c1COCc1nnc(C3CCN(CC3)c3ccccn3)n-21
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| InChI |
InChI=1S/C20H20ClN5O/c21-16-4-3-5-17-15(16)12-27-13-19-23-24-20(26(17)19)14-7-10-25(11-8-14)18-6-1-2-9-22-18/h1-6,9,14H,7-8,10-13H2
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| InChIKey |
OAIAMBIVJLJTJI-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