General Information of the Compound
| Compound ID |
CP0956136
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| Compound Name |
3-[3-Acetamido-4-(morpholin-4-yl)quinolin-6-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C24H24N6O3
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| Molecular Weight |
444.495
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| Canonical SMILES |
CNC(=O)c1cnc2[nH]cc(-c3ccc4ncc(NC(C)=O)c(N5CCOCC5)c4c3)c2c1
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| InChI |
InChI=1S/C24H24N6O3/c1-14(31)29-21-13-26-20-4-3-15(9-18(20)22(21)30-5-7-33-8-6-30)19-12-28-23-17(19)10-16(11-27-23)24(32)25-2/h3-4,9-13H,5-8H2,1-2H3,(H,25,32)(H,27,28)(H,29,31)
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| InChIKey |
KKRQNLMYEAPICW-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: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B