General Information of the Compound
| Compound ID |
CP0402630
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| Compound Name |
US9464084, 306
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| Structure |
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| Formula |
C20H16ClF4N5O
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| Molecular Weight |
453.827
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| Canonical SMILES |
CC1C(CCc2c1nnn2-c1ncc(F)c(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C20H16ClF4N5O/c1-9-11(18(31)12-4-3-5-13(16(12)21)20(23,24)25)6-7-15-17(9)28-29-30(15)19-26-8-14(22)10(2)27-19/h3-5,8-9,11H,6-7H2,1-2H3
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| InChIKey |
CGEIUUNQVXPGAL-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