General Information of the Compound
| Compound ID |
CP0517771
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| Compound Name |
[(6S)-1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
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| Structure |
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| Formula |
C15H12F4N8O
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| Molecular Weight |
396.308
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| Canonical SMILES |
C[C@H]1Cc2c(CN1C(=O)c1cn[nH]c1C(F)(F)F)nnn2-c1ncc(F)cn1
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| InChI |
InChI=1S/C15H12F4N8O/c1-7-2-11-10(23-25-27(11)14-20-3-8(16)4-21-14)6-26(7)13(28)9-5-22-24-12(9)15(17,18)19/h3-5,7H,2,6H2,1H3,(H,22,24)/t7-/m0/s1
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| InChIKey |
XOMNCMOWFUVORP-ZETCQYMHSA-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7