General Information of the Compound
| Compound ID |
CP0421465
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| Compound Name |
(2Z)-2-[[4-(4-benzylpiperazin-1-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C27H25N3O3
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| Molecular Weight |
439.515
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H25N3O3/c28-27(32)23-8-4-7-22-25(31)24(33-26(22)23)17-19-9-11-21(12-10-19)30-15-13-29(14-16-30)18-20-5-2-1-3-6-20/h1-12,17H,13-16,18H2,(H2,28,32)/b24-17-
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| InChIKey |
MPFIEXJVYWZRIT-ULJHMMPZSA-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