General Information of the Compound
| Compound ID |
CP0471287
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| Compound Name |
5-[1-(2,4-difluorophenyl)benzimidazol-4-yl]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H11F2N5
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| Molecular Weight |
323.306
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| Canonical SMILES |
Nc1ncncc1-c1cccc2n(cnc12)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C17H11F2N5/c18-10-4-5-14(13(19)6-10)24-9-23-16-11(2-1-3-15(16)24)12-7-21-8-22-17(12)20/h1-9H,(H2,20,21,22)
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| InChIKey |
UAWBRNLGWHLMBA-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