General Information of the Compound
| Compound ID |
CP0868383
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| Compound Name |
3-{4-[(4-Aminocyclohexyl)amino]-3-nitroquinolin-6-yl}-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide hydrochloride
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| Formula |
C29H29ClN8O3
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| Molecular Weight |
573.057
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| Canonical SMILES |
Cl.N[C@H]1CC[C@H](Nc2c([N+](=O)[O-])cnc3ccc(-c4c[nH]c5ncc(C(=O)NCc6cccnc6)cc45)cc23)CC1
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| InChI |
InChI=1S/C29H28N8O3.ClH/c30-20-4-6-21(7-5-20)36-27-23-10-18(3-8-25(23)32-16-26(27)37(39)40)24-15-34-28-22(24)11-19(14-33-28)29(38)35-13-17-2-1-9-31-12-17;/h1-3,8-12,14-16,20-21H,4-7,13,30H2,(H,32,36)(H,33,34)(H,35,38);1H/t20-,21-;
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| InChIKey |
HTRWKFBTQABGLJ-HBUVDCARSA-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