General Information of the Compound
| Compound ID |
CP0402974
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| Compound Name |
US10323032, Example 16
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| Structure |
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| Formula |
C18H12ClF2N5O
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| Molecular Weight |
387.777
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| Canonical SMILES |
Fc1cc(Cl)c(cc1F)C(=O)N1CCc2c(C1)ncnc2-c1cnccn1
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| InChI |
InChI=1S/C18H12ClF2N5O/c19-12-6-14(21)13(20)5-11(12)18(27)26-4-1-10-16(8-26)24-9-25-17(10)15-7-22-2-3-23-15/h2-3,5-7,9H,1,4,8H2
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| InChIKey |
ZYUCVHXAHGALEJ-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7