General Information of the Compound
| Compound ID |
CP0672780
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| Compound Name |
3-((3-(1-(2-hydroxyethyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)(3-(pyrrolidin-1-yl)propyl)amino)-5-methoxy-N-methylbenzamide
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| Structure |
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| Formula |
C29H35N7O3
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| Molecular Weight |
529.645
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| Canonical SMILES |
CNC(=O)c1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H35N7O3/c1-30-29(38)21-14-24(16-25(15-21)39-2)36(11-5-10-34-8-3-4-9-34)23-6-7-26-27(17-23)33-28(19-31-26)22-18-32-35(20-22)12-13-37/h6-7,14-20,37H,3-5,8-13H2,1-2H3,(H,30,38)
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| InChIKey |
BPRHSQUDWOTSSU-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