General Information of the Compound
| Compound ID |
CP0476853
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| Compound Name |
US10112937, Example 240
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| Structure |
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| Formula |
C21H18ClF3N4O
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| Molecular Weight |
434.849
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| Canonical SMILES |
CC1Cc2c(nnn2-c2ccccc2)C(C)N1C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C21H18ClF3N4O/c1-12-11-17-19(26-27-29(17)14-7-4-3-5-8-14)13(2)28(12)20(30)15-9-6-10-16(18(15)22)21(23,24)25/h3-10,12-13H,11H2,1-2H3
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| InChIKey |
INFKYEYKQNYCAE-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