General Information of the Compound
| Compound ID |
CP0551273
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| Compound Name |
US10112937, Example 315
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| Structure |
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| Formula |
C19H13ClF4N4O
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| Molecular Weight |
424.785
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| Canonical SMILES |
Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C19H13ClF4N4O/c20-17-12(2-1-3-13(17)19(22,23)24)18(29)27-7-6-15-14(9-27)26-10-28(15)16-5-4-11(21)8-25-16/h1-5,8,10H,6-7,9H2
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| InChIKey |
YWVQILGNCOWLGD-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