General Information of the Compound
| Compound ID |
CP0545726
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| Compound Name |
US10047092, 53
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| Structure |
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| Formula |
C19H20ClF3N4O2
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| Molecular Weight |
428.842
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)C1CCOCC1
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| InChI |
InChI=1S/C19H20ClF3N4O2/c1-11-9-27-16(12-5-7-29-8-6-12)24-25-17(27)18(28)26(11)10-13-3-2-4-14(15(13)20)19(21,22)23/h2-4,11-12H,5-10H2,1H3/t11-/m0/s1
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| InChIKey |
AHEUVSMIBQWCBY-NSHDSACASA-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