General Information of the Compound
| Compound ID |
CP0726550
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| Compound Name |
N-(3,5-dimethoxyphenyl)-N-(3-((2S,5R)-2,5-dimethylpyrrolidin-1-yl)propyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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| Structure |
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| Formula |
C29H36N6O2
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| Molecular Weight |
500.647
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCN2[C@H](C)CC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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| InChI |
InChI=1S/C29H36N6O2/c1-20-7-8-21(2)34(20)11-6-12-35(24-13-25(36-4)16-26(14-24)37-5)23-9-10-27-28(15-23)32-29(18-30-27)22-17-31-33(3)19-22/h9-10,13-21H,6-8,11-12H2,1-5H3/t20-,21+
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| InChIKey |
HQKHKYBURJLEMV-OYRHEFFESA-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