General Information of the Compound
| Compound ID |
CP0488344
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| Compound Name |
US10112937, Example 108
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| Structure |
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| Formula |
C20H16ClF3N4O
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| Molecular Weight |
420.822
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| Canonical SMILES |
Cn1nc(c2CCN(Cc12)C(=O)c1cccc(c1Cl)C(F)(F)F)-c1cccnc1
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| InChI |
InChI=1S/C20H16ClF3N4O/c1-27-16-11-28(9-7-13(16)18(26-27)12-4-3-8-25-10-12)19(29)14-5-2-6-15(17(14)21)20(22,23)24/h2-6,8,10H,7,9,11H2,1H3
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| InChIKey |
PSNVMAAHDRWAPM-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