General Information of the Compound
| Compound ID |
CP0657064
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| Compound Name |
3-(3,5-dimethoxy-N-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propan-1-ol
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| Structure |
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| Formula |
C25H29N5O5S
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| Molecular Weight |
511.604
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(CCS(C)(=O)=O)c4)nc3c2)c1
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| InChI |
InChI=1S/C25H29N5O5S/c1-34-21-11-20(12-22(14-21)35-2)30(7-4-9-31)19-5-6-23-24(13-19)28-25(16-26-23)18-15-27-29(17-18)8-10-36(3,32)33/h5-6,11-17,31H,4,7-10H2,1-3H3
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| InChIKey |
MWLGIUCUYKLSHV-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