General Information of the Compound
| Compound ID |
CP0649803
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| Compound Name |
2-(4-(7-((cyclopropylmethyl)(3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C29H32N6O4
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| Molecular Weight |
528.613
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC(=O)N5CCC(O)C5)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H32N6O4/c1-38-24-9-22(10-25(12-24)39-2)35(15-19-3-4-19)21-5-6-26-27(11-21)32-28(14-30-26)20-13-31-34(16-20)18-29(37)33-8-7-23(36)17-33/h5-6,9-14,16,19,23,36H,3-4,7-8,15,17-18H2,1-2H3
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| InChIKey |
WUUFTYPLVUNRIX-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