General Information of the Compound
| Compound ID |
CP0190338
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| Compound Name |
(2Z)-2-[(6-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
CCc1ccc2c(\C=C3/Oc4c(ccc(OC)c4CN4CCNCC4)C3=O)c[nH]c2n1
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| InChI |
InChI=1S/C24H26N4O3/c1-3-16-4-5-17-15(13-26-24(17)27-16)12-21-22(29)18-6-7-20(30-2)19(23(18)31-21)14-28-10-8-25-9-11-28/h4-7,12-13,25H,3,8-11,14H2,1-2H3,(H,26,27)/b21-12-
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| InChIKey |
JDVZPUBQXKOGSV-MTJSOVHGSA-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