General Information of the Compound
| Compound ID |
CP0419432
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| Compound Name |
US10112937, Example 144
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| Structure |
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| Formula |
C17H13Cl2FN6O
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| Molecular Weight |
407.236
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| Canonical SMILES |
C[C@@H]1N(CCc2c1nnn2-c1cnccn1)C(=O)c1ccc(F)c(Cl)c1Cl
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| InChI |
InChI=1S/C17H13Cl2FN6O/c1-9-16-12(26(24-23-16)13-8-21-5-6-22-13)4-7-25(9)17(27)10-2-3-11(20)15(19)14(10)18/h2-3,5-6,8-9H,4,7H2,1H3/t9-/m0/s1
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| InChIKey |
MWKUAOJXWMPSQG-VIFPVBQESA-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