General Information of the Compound
| Compound ID |
CP0864427
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| Compound Name |
3-((3-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)(3-hydroxypropyl)amino)-5-methoxy-N-methylbenzamide
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| Structure |
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| Formula |
C25H28N6O4
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| Molecular Weight |
476.537
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| Canonical SMILES |
CNC(=O)c1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1
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| InChI |
InChI=1S/C25H28N6O4/c1-26-25(34)17-10-20(12-21(11-17)35-2)31(6-3-8-32)19-4-5-22-23(13-19)29-24(15-27-22)18-14-28-30(16-18)7-9-33/h4-5,10-16,32-33H,3,6-9H2,1-2H3,(H,26,34)
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| InChIKey |
ABGMGGNYLNDYAV-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