General Information of the Compound
| Compound ID |
CP0391702
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| Compound Name |
(2Z)-2-[(6-chloro-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 |
C22H21ClN4O3
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| Molecular Weight |
424.888
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| Canonical SMILES |
COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(Cl)ccc12
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| InChI |
InChI=1S/C22H21ClN4O3/c1-29-17-4-2-15-20(28)18(10-13-11-25-22-14(13)3-5-19(23)26-22)30-21(15)16(17)12-27-8-6-24-7-9-27/h2-5,10-11,24H,6-9,12H2,1H3,(H,25,26)/b18-10-
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| InChIKey |
QIOKOIIOOCXZFW-ZDLGFXPLSA-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
Protein ID: PT01017, Serine/threonine-protein kinase pim-1
Protein ID: PT01077, Serine/threonine-protein kinase pim-2
Protein ID: PT01211, Serine/threonine-protein kinase pim-3