General Information of the Compound
| Compound ID |
CP0375674
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| Compound Name |
US10323032, Example 129
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| Structure |
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| Formula |
C19H12Cl2F2N4O
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| Molecular Weight |
421.234
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| Canonical SMILES |
Fc1cccc(n1)-c1ncnc2CN(CCc12)C(=O)c1ccc(F)c(Cl)c1Cl
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| InChI |
InChI=1S/C19H12Cl2F2N4O/c20-16-11(4-5-12(22)17(16)21)19(28)27-7-6-10-14(8-27)24-9-25-18(10)13-2-1-3-15(23)26-13/h1-5,9H,6-8H2
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| InChIKey |
JIWPDPJWVHKCTB-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