General Information of the Compound
| Compound ID |
CP0451969
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| Compound Name |
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 |
C20H21N5O
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| Molecular Weight |
347.422
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| Canonical SMILES |
C1CN(CCC1c1nnc2COCc3ccccc3-n12)c1ccccn1
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| InChI |
InChI=1S/C20H21N5O/c1-2-6-17-16(5-1)13-26-14-19-22-23-20(25(17)19)15-8-11-24(12-9-15)18-7-3-4-10-21-18/h1-7,10,15H,8-9,11-14H2
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| InChIKey |
FBNZYCBVCFNRDW-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