General Information of the Compound
| Compound ID |
CP0421592
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| Compound Name |
10-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-3-amine
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| Formula |
C22H16F3N5O
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| Molecular Weight |
423.398
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1
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| InChI |
InChI=1S/C22H16F3N5O/c23-22(24,25)16-2-1-3-17(13-16)27-21-29-28-20-18-12-15(14-6-8-26-9-7-14)4-5-19(18)31-11-10-30(20)21/h1-9,12-13H,10-11H2,(H,27,29)
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| InChIKey |
BOJVBIBNNHOZCU-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT06102, Probable G-protein coupled receptor 142