General Information of the Compound
| Compound ID |
CP0871792
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| Compound Name |
2-(1-((1H-benzo[d]imidazol-2-yl)methyl)azetidin-3-yl)-N-((3-fluoropyridin-2-yl)methyl)oxazole-5-carboxamide
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| Structure |
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| Formula |
C21H19FN6O2
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| Molecular Weight |
406.421
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1cnc(C2CN(Cc3nc4ccccc4[nH]3)C2)o1
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| InChI |
InChI=1S/C21H19FN6O2/c22-14-4-3-7-23-17(14)8-24-20(29)18-9-25-21(30-18)13-10-28(11-13)12-19-26-15-5-1-2-6-16(15)27-19/h1-7,9,13H,8,10-12H2,(H,24,29)(H,26,27)
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| InChIKey |
VQIRJSHBNWGNAF-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