General Information of the Compound
| Compound ID |
CP0962467
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| Compound Name |
Methyl({3-[4-(pent-4-en-1-yl)quinolin-6-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}methyl)(prop-2-en-1-yl)amine
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| Structure |
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| Formula |
C26H28N4
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| Molecular Weight |
396.538
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| Canonical SMILES |
C=CCCCc1ccnc2ccc(-c3c[nH]c4ncc(CN(C)CC=C)cc34)cc12
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| InChI |
InChI=1S/C26H28N4/c1-4-6-7-8-20-11-12-27-25-10-9-21(15-22(20)25)24-17-29-26-23(24)14-19(16-28-26)18-30(3)13-5-2/h4-5,9-12,14-17H,1-2,6-8,13,18H2,3H3,(H,28,29)
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| InChIKey |
QBCDQXGBQXNGKL-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