General Information of the Compound
| Compound ID |
CP0509249
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| Compound Name |
US10047092, 87
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| Structure |
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| Formula |
C19H20N6O
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| Molecular Weight |
348.41
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1c(C)cccc1C
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| InChI |
InChI=1S/C19H20N6O/c1-12-5-4-6-13(2)15(12)11-24-14(3)10-25-17(16-9-20-7-8-21-16)22-23-18(25)19(24)26/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
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| InChIKey |
WCQADJAHBOESOY-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