General Information of the Compound
| Compound ID |
CP0550874
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| Compound Name |
[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
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| Formula |
C33H33N5O
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| Molecular Weight |
515.661
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| Canonical SMILES |
O=C(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2c1
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| InChI |
InChI=1S/C33H33N5O/c39-33(37-18-13-30(14-19-37)36-16-2-1-3-17-36)25-6-4-24(5-7-25)29-10-11-32-35-22-31(38(32)23-29)27-8-9-28-21-34-15-12-26(28)20-27/h4-12,15,20-23,30H,1-3,13-14,16-19H2
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| InChIKey |
RWDCJKPJKMBFCI-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