General Information of the Compound
| Compound ID |
CP0539442
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| Compound Name |
US10047092, 3
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| Structure |
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| Formula |
C17H12ClF3N6O
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| Molecular Weight |
408.771
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| Canonical SMILES |
FC(F)(F)c1cccc(CN2CCn3c(nnc3-c3cnccn3)C2=O)c1Cl
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| InChI |
InChI=1S/C17H12ClF3N6O/c18-13-10(2-1-3-11(13)17(19,20)21)9-26-6-7-27-14(12-8-22-4-5-23-12)24-25-15(27)16(26)28/h1-5,8H,6-7,9H2
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| InChIKey |
MBUOOJUHZJOSRC-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