General Information of the Compound
| Compound ID |
CP0664718
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| Compound Name |
2-(4-(7-((cyclopropylmethyl)(3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)-N-(2-(pyrrolidin-1-yl)ethyl)acetamide
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| Structure |
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| Formula |
C31H37N7O3
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| Molecular Weight |
555.683
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| Canonical SMILES |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC(=O)NCCN5CCCC5)c4)nc3c2)c1
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| InChI |
InChI=1S/C31H37N7O3/c1-40-26-13-25(14-27(16-26)41-2)38(19-22-5-6-22)24-7-8-28-29(15-24)35-30(18-33-28)23-17-34-37(20-23)21-31(39)32-9-12-36-10-3-4-11-36/h7-8,13-18,20,22H,3-6,9-12,19,21H2,1-2H3,(H,32,39)
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| InChIKey |
XUDRPPZFODNIIN-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