General Information of the Compound
| Compound ID |
CP0420906
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| Compound Name |
(2Z)-2-[[4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C27H20N4O4
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| Molecular Weight |
464.481
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CC(C1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C27H20N4O4/c28-25(33)19-5-3-4-18-23(32)22(35-24(18)19)12-15-8-10-16(11-9-15)27(34)31-13-17(14-31)26-29-20-6-1-2-7-21(20)30-26/h1-12,17H,13-14H2,(H2,28,33)(H,29,30)/b22-12-
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| InChIKey |
MBHLAHGJFBPVGL-UUYOSTAYSA-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