General Information of the Compound
| Compound ID |
CP0139221
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| Compound Name |
N-[3-[[6-bromo-2-(4-fluoro-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]propyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C21H23BrFN5O2
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| Molecular Weight |
476.35
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| Canonical SMILES |
COc1cc(F)ccc1-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
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| InChI |
InChI=1S/C21H23BrFN5O2/c1-30-16-10-13(23)6-7-14(16)19-27-18-17(15(22)11-26-20(18)28-19)24-8-3-9-25-21(29)12-4-2-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,25,29)(H2,24,26,27,28)
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| InChIKey |
RYGAYBGVUQJRJA-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