General Information of the Compound
| Compound ID |
CP0413765
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| Compound Name |
(2Z)-6-hydroxy-2-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
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| Structure |
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| Formula |
C22H22N4O3
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| Molecular Weight |
390.443
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| Canonical SMILES |
Cc1ccc2c(\C=C3/Oc4c(ccc(O)c4CN4CCNCC4)C3=O)c[nH]c2n1
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| InChI |
InChI=1S/C22H22N4O3/c1-13-2-3-15-14(11-24-22(15)25-13)10-19-20(28)16-4-5-18(27)17(21(16)29-19)12-26-8-6-23-7-9-26/h2-5,10-11,23,27H,6-9,12H2,1H3,(H,24,25)/b19-10-
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| InChIKey |
MNPGLCAYZJWXPV-GRSHGNNSSA-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