General Information of the Compound
| Compound ID |
CP0012124
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| Compound Name |
10,10-bis[[2-(trifluoromethyl)pyridin-4-yl]methyl]anthracen-9-one
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| Structure |
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| Formula |
C28H18F6N2O
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| Molecular Weight |
512.453
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| Canonical SMILES |
FC(F)(F)c1cc(CC2(Cc3ccnc(c3)C(F)(F)F)c3ccccc3C(=O)c3ccccc23)ccn1
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| InChI |
InChI=1S/C28H18F6N2O/c29-27(30,31)23-13-17(9-11-35-23)15-26(16-18-10-12-36-24(14-18)28(32,33)34)21-7-3-1-5-19(21)25(37)20-6-2-4-8-22(20)26/h1-14H,15-16H2
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| InChIKey |
UJHMMKCUHVQFBZ-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