General Information of the Compound
| Compound ID |
CP0701311
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| Compound Name |
2-(3-((cyclopropylmethyl)(3-(1-(2-(methylsulfonyl)ethyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)-5-methoxyphenoxy)ethanol
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| Structure |
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| Formula |
C27H31N5O5S
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| Molecular Weight |
537.642
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| Canonical SMILES |
COc1cc(OCCO)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCS(C)(=O)=O)c4)nc3c2)c1
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| InChI |
InChI=1S/C27H31N5O5S/c1-36-23-11-22(12-24(14-23)37-9-8-33)32(17-19-3-4-19)21-5-6-25-26(13-21)30-27(16-28-25)20-15-29-31(18-20)7-10-38(2,34)35/h5-6,11-16,18-19,33H,3-4,7-10,17H2,1-2H3
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| InChIKey |
BAZVFUXBEXJILA-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