General Information of the Compound
| Compound ID |
CP0956128
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| Compound Name |
N-(1-Methylpiperidin-4-yl)-6-{1H-pyrrolo[2,3-b]pyridin-3-yl}quinolin-4-amine
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| Structure |
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| Formula |
C22H23N5
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| Molecular Weight |
357.461
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| Canonical SMILES |
CN1CCC(Nc2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1
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| InChI |
InChI=1S/C22H23N5/c1-27-11-7-16(8-12-27)26-21-6-10-23-20-5-4-15(13-18(20)21)19-14-25-22-17(19)3-2-9-24-22/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,23,26)(H,24,25)
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| InChIKey |
KHQYSWUSDRSLMP-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