General Information of the Compound
| Compound ID |
CP0554753
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| Compound Name |
US10112937, Example 295
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| Structure |
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| Formula |
C21H20F3N5O
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| Molecular Weight |
415.419
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| Canonical SMILES |
CCc1cccnc1-n1nnc2C(C)N(CCc12)C(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F3N5O/c1-3-14-7-5-10-25-19(14)29-17-9-11-28(13(2)18(17)26-27-29)20(30)15-6-4-8-16(12-15)21(22,23)24/h4-8,10,12-13H,3,9,11H2,1-2H3
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| InChIKey |
OCPWYQMYUFUHMS-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