General Information of the Compound
| Compound ID |
CP0515461
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| Compound Name |
US10112937, Example 266
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| Structure |
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| Formula |
C20H19ClF3N5O
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| Molecular Weight |
437.853
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| Canonical SMILES |
CC1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)n(C)nc2-c1ccnn1C
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| InChI |
InChI=1S/C20H19ClF3N5O/c1-11-9-13-16(28(3)26-18(13)15-7-8-25-27(15)2)10-29(11)19(30)12-5-4-6-14(17(12)21)20(22,23)24/h4-8,11H,9-10H2,1-3H3
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| InChIKey |
WNKFRMPTORTTKZ-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