General Information of the Compound
| Compound ID |
CP0014861
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| Compound Name |
10,10-bis[(3,5-difluoropyridin-4-yl)methyl]anthracen-9-one
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| Structure |
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| Formula |
C26H16F4N2O
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| Molecular Weight |
448.419
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| Canonical SMILES |
Fc1cncc(F)c1CC1(Cc2c(F)cncc2F)c2ccccc2C(=O)c2ccccc12
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| InChI |
InChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2
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| InChIKey |
MUMHZFHRQBJIKQ-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT03912, Potassium voltage-gated channel subfamily KQT member 2