General Information of the Compound
| Compound ID |
CP0854892
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| Compound Name |
5-(2-((2-(1H-benzo[d]imidazol-2-yl)ethyl)amino)ethyl)-N-((3-fluoropyridin-2-yl)methyl)-1,2,4-oxadiazole-3-carboxamide
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| Structure |
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| Formula |
C20H20FN7O2
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| Molecular Weight |
409.425
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1noc(CCNCCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C20H20FN7O2/c21-13-4-3-9-23-16(13)12-24-20(29)19-27-18(30-28-19)8-11-22-10-7-17-25-14-5-1-2-6-15(14)26-17/h1-6,9,22H,7-8,10-12H2,(H,24,29)(H,25,26)
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| InChIKey |
CYNMZWPQJUNAMO-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