General Information of the Compound
| Compound ID |
CP0692287
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| Compound Name |
3-(4-(7-((3,5-dimethoxyphenyl)(2-(isopropylamino)ethyl)amino)quinoxalin-2-yl)-1H-pyrazol-1-yl)propanenitrile
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| Structure |
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| Formula |
C27H31N7O2
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| Molecular Weight |
485.592
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| Canonical SMILES |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCC#N)c4)nc3c2)c1
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| InChI |
InChI=1S/C27H31N7O2/c1-19(2)29-9-11-34(22-12-23(35-3)15-24(13-22)36-4)21-6-7-25-26(14-21)32-27(17-30-25)20-16-31-33(18-20)10-5-8-28/h6-7,12-19,29H,5,9-11H2,1-4H3
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| InChIKey |
USCLDZNWLVHDPF-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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2