General Information of the Compound
| Compound ID |
CP0926473
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| Compound Name |
US9464084, 308
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| Structure |
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| Formula |
C16H12ClF6N3O
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| Molecular Weight |
411.733
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| Canonical SMILES |
CC1c2[nH]nc(C(F)(F)F)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
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| InChI |
InChI=1S/C16H12ClF6N3O/c1-7-12-9(13(25-24-12)16(21,22)23)5-6-26(7)14(27)8-3-2-4-10(11(8)17)15(18,19)20/h2-4,7H,5-6H2,1H3,(H,24,25)
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| InChIKey |
TWKJBIQGDZQHBV-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