General Information of the Compound
| Compound ID |
CP0466143
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| Compound Name |
10-(2-methylpyridin-4-yl)-N-[3-(trifluoromethoxy)phenyl]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-3-amine
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| Formula |
C23H18F3N5O2
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| Molecular Weight |
453.424
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| Canonical SMILES |
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
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| InChI |
InChI=1S/C23H18F3N5O2/c1-14-11-16(7-8-27-14)15-5-6-20-19(12-15)21-29-30-22(31(21)9-10-32-20)28-17-3-2-4-18(13-17)33-23(24,25)26/h2-8,11-13H,9-10H2,1H3,(H,28,30)
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| InChIKey |
PCAMVFAVWHIYLC-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