General Information of the Compound
| Compound ID |
CP0413783
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| Compound Name |
US10047092, 65
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| Structure |
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| Formula |
C20H16ClF3N6O
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| Molecular Weight |
448.836
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| Canonical SMILES |
FC(F)(F)c1cccc(CN2[C@@H](Cn3c(nnc3-c3ncccn3)C2=O)C2CC2)c1Cl
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| InChI |
InChI=1S/C20H16ClF3N6O/c21-15-12(3-1-4-13(15)20(22,23)24)9-29-14(11-5-6-11)10-30-17(16-25-7-2-8-26-16)27-28-18(30)19(29)31/h1-4,7-8,11,14H,5-6,9-10H2/t14-/m0/s1
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| InChIKey |
RZKGZHSNXKBRQG-AWEZNQCLSA-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