General Information of the Compound
| Compound ID |
CP0719249
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| Compound Name |
N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(3-(3-(methylsulfonyl)pyrrolidin-1-yl)propyl)quinoxalin-6-amine
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| Structure |
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| Formula |
C28H34N6O4S
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| Molecular Weight |
550.685
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2CCC(S(C)(=O)=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C28H34N6O4S/c1-32-18-20(16-30-32)28-17-29-26-7-6-21(14-27(26)31-28)34(22-12-23(37-2)15-24(13-22)38-3)10-5-9-33-11-8-25(19-33)39(4,35)36/h6-7,12-18,25H,5,8-11,19H2,1-4H3
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| InChIKey |
IHIQKRYMXUFAGS-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