General Information of the Compound
| Compound ID |
CP0540894
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| Compound Name |
[3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenyl]methanamine
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| Structure |
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| Formula |
C29H22FN5
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| Molecular Weight |
459.528
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| Canonical SMILES |
NCc1cccc(c1)-c1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C29H22FN5/c30-22-11-9-20(10-12-22)26-27(35-28(34-26)21-8-4-5-18(15-21)17-31)23-13-14-32-29-24(23)16-25(33-29)19-6-2-1-3-7-19/h1-16H,17,31H2,(H,32,33)(H,34,35)
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| InChIKey |
RZOMTAPFIYLQIJ-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