General Information of the Compound
| Compound ID |
CP0550876
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| Compound Name |
[(3R)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanone
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| Formula |
C27H24N6O
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| Molecular Weight |
448.53
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| Canonical SMILES |
N[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2n1
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| InChI |
InChI=1S/C27H24N6O/c28-23-2-1-13-32(17-23)27(34)19-5-3-18(4-6-19)24-9-10-26-30-16-25(33(26)31-24)21-7-8-22-15-29-12-11-20(22)14-21/h3-12,14-16,23H,1-2,13,17,28H2/t23-/m1/s1
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| InChIKey |
RKNGTCDEHZFRSK-HSZRJFAPSA-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