General Information of the Compound
| Compound ID |
CP0554747
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| Compound Name |
US10112937, Example 168
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| Structure |
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| Formula |
C19H14ClF4N5O
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| Molecular Weight |
439.8
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| Canonical SMILES |
C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ncccc1F
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| InChI |
InChI=1S/C19H14ClF4N5O/c1-10-8-15-14(26-27-29(15)17-13(21)6-3-7-25-17)9-28(10)18(30)11-4-2-5-12(16(11)20)19(22,23)24/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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| InChIKey |
FYHMQHJIZZNUCO-JTQLQIEISA-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7