General Information of the Compound
| Compound ID |
CP0065493
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| Compound Name |
US10112937, Example 312
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| Structure |
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| Formula |
C20H16F4N4O
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| Molecular Weight |
404.367
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| Canonical SMILES |
Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)ncn2-c1ccc(F)cn1
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| InChI |
InChI=1S/C20H16F4N4O/c1-12-14(3-2-4-15(12)20(22,23)24)19(29)27-8-7-17-16(10-27)26-11-28(17)18-6-5-13(21)9-25-18/h2-6,9,11H,7-8,10H2,1H3
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| InChIKey |
RNLGUFPYLWSHIV-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