General Information of the Compound
| Compound ID |
CP0440597
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| Compound Name |
7,8-dichloro-1-[(3-fluorophenyl)methylamino]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
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| Structure |
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| Formula |
C20H10Cl2F4N4
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| Molecular Weight |
453.226
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| Canonical SMILES |
Fc1cccc(CNc2cc(c(C#N)c3nc4cc(Cl)c(Cl)cc4n23)C(F)(F)F)c1
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| InChI |
InChI=1S/C20H10Cl2F4N4/c21-14-6-16-17(7-15(14)22)30-18(28-9-10-2-1-3-11(23)4-10)5-13(20(24,25)26)12(8-27)19(30)29-16/h1-7,28H,9H2
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| InChIKey |
WPBQAFIVPPQKMV-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