General Information of the Compound
| Compound ID |
CP0416024
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| Compound Name |
(2Z)-2-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1
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| InChI |
InChI=1S/C21H21N3O3/c1-23-9-11-24(12-10-23)15-7-5-14(6-8-15)13-18-19(25)16-3-2-4-17(21(22)26)20(16)27-18/h2-8,13H,9-12H2,1H3,(H2,22,26)/b18-13-
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| InChIKey |
PUEWTSRRADWACB-AQTBWJFISA-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