General Information of the Compound
| Compound ID |
CP0966682
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| Compound Name |
1-{4-[(3-Amino-6-{1H-pyrrolo[2,3-b]pyridin-3-yl}quinolin-4-yl)amino]piperidin-1-yl}ethan-1-one
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| Structure |
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| Formula |
C23H24N6O
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| Molecular Weight |
400.486
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| Canonical SMILES |
CC(=O)N1CCC(Nc2c(N)cnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1
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| InChI |
InChI=1S/C23H24N6O/c1-14(30)29-9-6-16(7-10-29)28-22-18-11-15(4-5-21(18)26-13-20(22)24)19-12-27-23-17(19)3-2-8-25-23/h2-5,8,11-13,16H,6-7,9-10,24H2,1H3,(H,25,27)(H,26,28)
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| InChIKey |
KPXJTZIQXSWGIT-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