General Information of the Compound
| Compound ID |
CP0692457
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| Compound Name |
2-(3-((3-(1H-pyrazol-4-yl)quinoxalin-6-yl)(3-(pyrrolidin-1-yl)propyl)amino)-5-methoxyphenoxy)ethanol
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| Structure |
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| Formula |
C27H32N6O3
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| Molecular Weight |
488.592
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| Canonical SMILES |
COc1cc(OCCO)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
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| InChI |
InChI=1S/C27H32N6O3/c1-35-23-13-22(14-24(16-23)36-12-11-34)33(10-4-9-32-7-2-3-8-32)21-5-6-25-26(15-21)31-27(19-28-25)20-17-29-30-18-20/h5-6,13-19,34H,2-4,7-12H2,1H3,(H,29,30)
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| InChIKey |
QJZANLWCNGSFGW-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: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2