General Information of the Compound
| Compound ID |
CP0443221
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| Compound Name |
US10112937, Example 313
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| Structure |
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| Formula |
C18H13Cl2FN4O
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| Molecular Weight |
391.233
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| Canonical SMILES |
Fc1ccc(nc1)-n1cnc2CN(CCc12)C(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C18H13Cl2FN4O/c19-11-1-3-13(14(20)7-11)18(26)24-6-5-16-15(9-24)23-10-25(16)17-4-2-12(21)8-22-17/h1-4,7-8,10H,5-6,9H2
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| InChIKey |
DJIJTCUGJYMPTQ-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