General Information of the Compound
| Compound ID |
CP0690264
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| Compound Name |
1,1,2,2-tetradeuterio-2-[N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,5-bis(trideuteriomethoxy)anilino]ethanol
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| Structure |
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| Formula |
C22H23N5O3
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| Molecular Weight |
415.5190178
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| Canonical SMILES |
[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C([2H])([2H])C([2H])([2H])O)c1
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| InChI |
InChI=1S/C22H23N5O3/c1-26-14-15(12-24-26)22-13-23-20-5-4-16(10-21(20)25-22)27(6-7-28)17-8-18(29-2)11-19(9-17)30-3/h4-5,8-14,28H,6-7H2,1-3H3/i2D3,3D3,6D2,7D2
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| InChIKey |
OOWSKBMTGLHFAR-PUVRZNKUSA-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