General Information of the Compound
| Compound ID |
CP0569548
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| Compound Name |
(4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
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| Formula |
C28H25N5O
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| Molecular Weight |
447.542
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| Canonical SMILES |
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
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| InChI |
InChI=1S/C28H25N5O/c29-25-10-13-32(14-11-25)28(34)20-3-1-19(2-4-20)24-7-8-27-31-17-26(33(27)18-24)22-5-6-23-16-30-12-9-21(23)15-22/h1-9,12,15-18,25H,10-11,13-14,29H2
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| InChIKey |
VDNGCTAWOOSJIU-UHFFFAOYSA-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: PT02258, MAP kinase-interacting serine/threonine-protein kinase 1
Protein ID: PT01269, MAP kinase-interacting serine/threonine-protein kinase 2