General Information of the Compound
| Compound ID |
CP0698816
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| Compound Name |
3-((3,5-dimethoxyphenyl)(3-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)propan-1-ol
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| Structure |
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| Formula |
C27H31N5O4
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| Molecular Weight |
489.576
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1
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| InChI |
InChI=1S/C27H31N5O4/c1-34-22-12-21(13-23(15-22)35-2)31(9-5-10-33)20-7-8-24-25(14-20)30-26(17-28-24)19-16-29-32(18-19)27-6-3-4-11-36-27/h7-8,12-18,27,33H,3-6,9-11H2,1-2H3
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| InChIKey |
RVNHZXXYNAWXJQ-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