General Information of the Compound
| Compound ID |
CP0515225
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| Compound Name |
US10112937, Example 274
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| Structure |
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| Formula |
C17H14ClFN6O
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| Molecular Weight |
372.791
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| Canonical SMILES |
CC1N(CCc2c1nnn2-c1cnccn1)C(=O)c1ccc(Cl)cc1F
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| InChI |
InChI=1S/C17H14ClFN6O/c1-10-16-14(25(23-22-16)15-9-20-5-6-21-15)4-7-24(10)17(26)12-3-2-11(18)8-13(12)19/h2-3,5-6,8-10H,4,7H2,1H3
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| InChIKey |
SOGYWUYAUACTLS-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