General Information of the Compound
| Compound ID |
CP0744804
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| Compound Name |
(S)-1-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)-3-methoxypropan-2-yl acetate
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| Structure |
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| Formula |
C26H29N5O5
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| Molecular Weight |
491.548
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| Canonical SMILES |
COC[C@H](CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1)OC(C)=O
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| InChI |
InChI=1S/C26H29N5O5/c1-17(32)36-23(16-33-3)15-31(20-8-21(34-4)11-22(9-20)35-5)19-6-7-24-25(10-19)29-26(13-27-24)18-12-28-30(2)14-18/h6-14,23H,15-16H2,1-5H3/t23-/m0/s1
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| InChIKey |
BFLRXUQCNYUNBN-QHCPKHFHSA-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