General Information of the Compound
| Compound ID |
CP0391701
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| Compound Name |
(2Z)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-6-hydroxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
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| Structure |
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| Formula |
C21H19ClN4O3
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| Molecular Weight |
410.861
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| Canonical SMILES |
Oc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2nc(Cl)ccc12
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| InChI |
InChI=1S/C21H19ClN4O3/c22-18-4-2-13-12(10-24-21(13)25-18)9-17-19(28)14-1-3-16(27)15(20(14)29-17)11-26-7-5-23-6-8-26/h1-4,9-10,23,27H,5-8,11H2,(H,24,25)/b17-9-
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| InChIKey |
DMSYFHDBYSACBT-MFOYZWKCSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000620 | WI-38 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 10000 nM
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TI
LI
LO
TS
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