General Information of the Compound
| Compound ID |
CP0537325
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| Compound Name |
US10112937, Example 66
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| Structure |
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| Formula |
C17H12F4N6O
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| Molecular Weight |
392.316
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| Canonical SMILES |
Fc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)nnn2-c1ncccn1
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| InChI |
InChI=1S/C17H12F4N6O/c18-14-10(3-1-4-11(14)17(19,20)21)15(28)26-8-5-13-12(9-26)24-25-27(13)16-22-6-2-7-23-16/h1-4,6-7H,5,8-9H2
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| InChIKey |
DPLVEZJPUODUHZ-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