General Information of the Compound
| Compound ID |
CP0491758
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| Compound Name |
1-[4-(trifluoromethoxy)anilino]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
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| Structure |
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| Formula |
C20H10F6N4O
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| Molecular Weight |
436.315
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| Canonical SMILES |
FC(F)(F)Oc1ccc(Nc2cc(c(C#N)c3nc4ccccc4n23)C(F)(F)F)cc1
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| InChI |
InChI=1S/C20H10F6N4O/c21-19(22,23)14-9-17(28-11-5-7-12(8-6-11)31-20(24,25)26)30-16-4-2-1-3-15(16)29-18(30)13(14)10-27/h1-9,28H
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| InChIKey |
ZJAUTHLNFQEQPV-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