General Information of the Compound
| Compound ID |
CP0512691
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| Compound Name |
8-methyl-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 |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
Cc1ccc-2c(COCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1
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| InChI |
InChI=1S/C21H23N5O/c1-15-5-6-18-17(12-15)13-27-14-20-23-24-21(26(18)20)16-7-10-25(11-8-16)19-4-2-3-9-22-19/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3
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| InChIKey |
CLDGOUPTBINSFX-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