General Information of the Compound
| Compound ID |
CP0962466
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| Compound Name |
N-(Furan-3-ylmethyl)-6-{1H-pyrrolo[2,3-b]pyridin-3-yl}quinolin-3-amine
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| Structure |
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| Formula |
C21H16N4O
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| Molecular Weight |
340.386
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| Canonical SMILES |
c1cnc2[nH]cc(-c3ccc4ncc(NCc5ccoc5)cc4c3)c2c1
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| InChI |
InChI=1S/C21H16N4O/c1-2-18-19(12-25-21(18)22-6-1)15-3-4-20-16(8-15)9-17(11-24-20)23-10-14-5-7-26-13-14/h1-9,11-13,23H,10H2,(H,22,25)
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| InChIKey |
VCMYYTXPJIFJEA-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