General Information of the Compound
| Compound ID |
CP0554088
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| Compound Name |
US10112937, Example 247
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| Structure |
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| Formula |
C19H15Cl2FN4O
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| Molecular Weight |
405.26
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| Canonical SMILES |
CC1CN(Cc2nnn(c12)-c1ccc(F)cc1)C(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C19H15Cl2FN4O/c1-11-9-25(19(27)14-3-2-4-15(20)17(14)21)10-16-18(11)26(24-23-16)13-7-5-12(22)6-8-13/h2-8,11H,9-10H2,1H3
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| InChIKey |
GKKRKEQHTAFIPC-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