General Information of the Compound
| Compound ID |
CP0664766
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| Compound Name |
tert-butyl 4-(3-((3,5-dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)prop-1-ynyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C33H38N6O4
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| Molecular Weight |
582.705
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| Canonical SMILES |
COc1cc(OC)cc(N(CC#CC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C33H38N6O4/c1-33(2,3)43-32(40)38-14-11-23(12-15-38)8-7-13-39(26-16-27(41-5)19-28(17-26)42-6)25-9-10-29-30(18-25)36-31(21-34-29)24-20-35-37(4)22-24/h9-10,16-23H,11-15H2,1-6H3
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| InChIKey |
YOHMMSYTAZLPHD-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