General Information of the Compound
| Compound ID |
CP0910267
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| Compound Name |
US9464084, 189
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| Structure |
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| Formula |
C17H14F4N6O
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| Molecular Weight |
394.332
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| Canonical SMILES |
CC1Cc2c(nnn2-c2cc[nH]n2)CN1C(=O)c1cccc(C(F)(F)F)c1F
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| InChI |
InChI=1S/C17H14F4N6O/c1-9-7-13-12(23-25-27(13)14-5-6-22-24-14)8-26(9)16(28)10-3-2-4-11(15(10)18)17(19,20)21/h2-6,9H,7-8H2,1H3,(H,22,24)
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| InChIKey |
JWJNXWJNUVFQCA-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