General Information of the Compound
| Compound ID |
CP0454652
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| Compound Name |
US10112937, Example 304
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| Structure |
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| Formula |
C18H14F4N6O
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| Molecular Weight |
406.343
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| Canonical SMILES |
C[C@H]1Cc2c(CN1C(=O)c1cccc(c1)C(F)(F)F)nnn2-c1ncc(F)cn1
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| InChI |
InChI=1S/C18H14F4N6O/c1-10-5-15-14(25-26-28(15)17-23-7-13(19)8-24-17)9-27(10)16(29)11-3-2-4-12(6-11)18(20,21)22/h2-4,6-8,10H,5,9H2,1H3/t10-/m0/s1
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| InChIKey |
MPIBZJJDKPYARP-JTQLQIEISA-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