General Information of the Compound
| Compound ID |
CP0959637
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| Compound Name |
(3S)-1-(6-{1H-Pyrrolo[2,3-b]pyridin-3-yl}quinolin-4-yl)piperidin-3-amine
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| Structure |
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| Formula |
C21H21N5
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| Molecular Weight |
343.434
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| Canonical SMILES |
N[C@H]1CCCN(c2ccnc3ccc(-c4c[nH]c5ncccc45)cc23)C1
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| InChI |
InChI=1S/C21H21N5/c22-15-3-2-10-26(13-15)20-7-9-23-19-6-5-14(11-17(19)20)18-12-25-21-16(18)4-1-8-24-21/h1,4-9,11-12,15H,2-3,10,13,22H2,(H,24,25)/t15-/m0/s1
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| InChIKey |
YJCXYZMWVUGXRW-HNNXBMFYSA-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