General Information of the Compound
| Compound ID |
CP0698846
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| Compound Name |
N1-(3,5-dimethoxyphenyl)-N1-(3-(5-((dimethylamino)methyl)-1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)-N2-isopropylethane-1,2-diamine
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| Structure |
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| Formula |
C28H37N7O2
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| Molecular Weight |
503.651
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4CN(C)C)nc3c2)c1
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| InChI |
InChI=1S/C28H37N7O2/c1-19(2)29-10-11-35(21-12-22(36-6)15-23(13-21)37-7)20-8-9-25-26(14-20)32-27(17-30-25)24-16-31-34(5)28(24)18-33(3)4/h8-9,12-17,19,29H,10-11,18H2,1-7H3
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| InChIKey |
CCDNYIWGTYFDSI-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