General Information of the Compound
| Compound ID |
CP0462690
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| Compound Name |
US10323032, Example 15
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| Structure |
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| Formula |
C20H16F3N5O
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| Molecular Weight |
399.376
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| Canonical SMILES |
Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)ncnc2-c1cnccn1
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| InChI |
InChI=1S/C20H16F3N5O/c1-12-13(3-2-4-15(12)20(21,22)23)19(29)28-8-5-14-17(10-28)26-11-27-18(14)16-9-24-6-7-25-16/h2-4,6-7,9,11H,5,8,10H2,1H3
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| InChIKey |
LYSAKHBQGFOSBC-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