General Information of the Compound
| Compound ID |
CP0416023
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| Compound Name |
(2Z)-2-[[4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C29H24N4O4
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| Molecular Weight |
492.535
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C29H24N4O4/c30-27(35)21-5-3-4-20-25(34)24(37-26(20)21)16-17-8-10-19(11-9-17)29(36)33-14-12-18(13-15-33)28-31-22-6-1-2-7-23(22)32-28/h1-11,16,18H,12-15H2,(H2,30,35)(H,31,32)/b24-16-
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| InChIKey |
KBUKRPQXMLIHGN-JLPGSUDCSA-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