General Information of the Compound
| Compound ID |
CP0072497
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| Compound Name |
4-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]butan-1-ol
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| Structure |
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| Formula |
C26H23FN4O
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| Molecular Weight |
426.495
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| Canonical SMILES |
OCCCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H23FN4O/c27-19-11-9-18(10-12-19)24-25(31-23(30-24)8-4-5-15-32)20-13-14-28-26-21(20)16-22(29-26)17-6-2-1-3-7-17/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H,28,29)(H,30,31)
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| InChIKey |
UVBXNSDEQMCSMK-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