General Information of the Compound
| Compound ID |
CP0406853
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| Compound Name |
US10112937, Example 126
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| Structure |
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| Formula |
C21H17ClF4N4O2
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| Molecular Weight |
468.838
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| Canonical SMILES |
FCCOc1ccccc1-n1nnc2CN(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C21H17ClF4N4O2/c22-19-13(4-3-5-14(19)21(24,25)26)20(31)29-10-8-16-15(12-29)27-28-30(16)17-6-1-2-7-18(17)32-11-9-23/h1-7H,8-12H2
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| InChIKey |
JFDUYBCPOMDIIN-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7