General Information of the Compound
| Compound ID |
CP0416036
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| Compound Name |
(2Z)-3-oxo-2-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C27H23N3O4
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| Molecular Weight |
453.498
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C27H23N3O4/c28-26(32)22-8-4-7-21-24(31)23(34-25(21)22)17-18-9-11-19(12-10-18)27(33)30-15-13-29(14-16-30)20-5-2-1-3-6-20/h1-12,17H,13-16H2,(H2,28,32)/b23-17-
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| InChIKey |
XHXRUKBLRBCDNO-QJOMJCCJSA-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