General Information of the Compound
| Compound ID |
CP0416030
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| Compound Name |
(2Z)-3-oxo-2-[[4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]phenyl]methylidene]-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C27H21F3N4O4
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| Molecular Weight |
522.483
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H21F3N4O4/c28-27(29,30)20-5-2-10-32-25(20)33-11-13-34(14-12-33)26(37)17-8-6-16(7-9-17)15-21-22(35)18-3-1-4-19(24(31)36)23(18)38-21/h1-10,15H,11-14H2,(H2,31,36)/b21-15-
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| InChIKey |
NFOOYMZGCQQJRU-QNGOZBTKSA-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