General Information of the Compound
| Compound ID |
CP0871639
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| Compound Name |
N-Methyl-N-(1-methylpiperidin-4-yl)-3-nitro-6-{1H-pyrrolo[2,3-b]pyridin-3-yl}quinolin-4-amine
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| Structure |
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| Formula |
C23H24N6O2
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| Molecular Weight |
416.485
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| Canonical SMILES |
CN1CCC(N(C)c2c([N+](=O)[O-])cnc3ccc(-c4c[nH]c5ncccc45)cc23)CC1
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| InChI |
InChI=1S/C23H24N6O2/c1-27-10-7-16(8-11-27)28(2)22-18-12-15(5-6-20(18)25-14-21(22)29(30)31)19-13-26-23-17(19)4-3-9-24-23/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,24,26)
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| InChIKey |
ORBNLRQBHQLUIW-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