General Information of the Compound
| Compound ID |
CP0649802
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| Compound Name |
N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-(pyrrolidin-1-yl)propyl)quinoxalin-6-amine
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| Structure |
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| Formula |
C26H30N6O2
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| Molecular Weight |
458.566
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
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| InChI |
InChI=1S/C26H30N6O2/c1-33-22-12-21(13-23(15-22)34-2)32(11-5-10-31-8-3-4-9-31)20-6-7-24-25(14-20)30-26(18-27-24)19-16-28-29-17-19/h6-7,12-18H,3-5,8-11H2,1-2H3,(H,28,29)
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| InChIKey |
PMWJNWXMNAKMHW-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