General Information of the Compound
| Compound ID |
CP0548852
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| Compound Name |
US10112937, Example 118
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| Structure |
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| Formula |
C19H15ClF3N5O
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| Molecular Weight |
421.81
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| Canonical SMILES |
C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ccccn1
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| InChI |
InChI=1S/C19H15ClF3N5O/c1-11-9-15-14(25-26-28(15)16-7-2-3-8-24-16)10-27(11)18(29)12-5-4-6-13(17(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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| InChIKey |
SISYDQNAILIMSB-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