General Information of the Compound
| Compound ID |
CP0107788
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| Compound Name |
(2Z)-6-methoxy-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 |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(C)ccc12
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| InChI |
InChI=1S/C23H24N4O3/c1-14-3-4-16-15(12-25-23(16)26-14)11-20-21(28)17-5-6-19(29-2)18(22(17)30-20)13-27-9-7-24-8-10-27/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,25,26)/b20-11-
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| InChIKey |
NZTGSWDBRZMTBV-JAIQZWGSSA-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