General Information of the Compound
| Compound ID |
CP0701254
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| Compound Name |
N-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)-N-(((1S,2S)-2-(pyridin-2-yl)cyclopropyl)methyl)quinoxalin-6-amine
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| Structure |
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| Formula |
C29H28N6O2
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| Molecular Weight |
492.583
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| Canonical SMILES |
COc1cc(OC)cc(N(C[C@H]2C[C@@H]2c2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H28N6O2/c1-34-17-20(15-32-34)29-16-31-27-8-7-21(13-28(27)33-29)35(22-11-23(36-2)14-24(12-22)37-3)18-19-10-25(19)26-6-4-5-9-30-26/h4-9,11-17,19,25H,10,18H2,1-3H3/t19-,25+/m1/s1
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| InChIKey |
JARSMEDYFYAQRJ-CLOONOSVSA-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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2