General Information of the Compound
| Compound ID |
CP0419430
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| Compound Name |
US10112937, Example 128
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| Structure |
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| Formula |
C17H14ClF3N6O
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| Molecular Weight |
410.787
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| Canonical SMILES |
Cn1nccc1-n1nnc2CN(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C17H14ClF3N6O/c1-25-14(5-7-22-25)27-13-6-8-26(9-12(13)23-24-27)16(28)10-3-2-4-11(15(10)18)17(19,20)21/h2-5,7H,6,8-9H2,1H3
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| InChIKey |
PEUALQSPZSYZBK-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7