General Information of the Compound
| Compound ID |
CP0406866
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| Compound Name |
US10112937, Example 263
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| Structure |
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| Formula |
C21H18F4N4O
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| Molecular Weight |
418.394
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| Canonical SMILES |
CC1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1C)C(F)(F)F
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| InChI |
InChI=1S/C21H18F4N4O/c1-12-15(4-3-5-16(12)21(23,24)25)20(30)28-9-8-17-19(13(28)2)27-11-29(17)18-7-6-14(22)10-26-18/h3-7,10-11,13H,8-9H2,1-2H3
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| InChIKey |
LVTJEYIMEVVAMN-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