General Information of the Compound
| Compound ID |
CP0673334
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| Compound Name |
(S)-1-(2-((3-(1H-pyrazol-4-yl)quinoxalin-6-yl)(3,5-dimethoxyphenyl)amino)ethyl)pyrrolidine-3-carbonitrile
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| Structure |
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| Formula |
C26H27N7O2
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| Molecular Weight |
469.549
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| Canonical SMILES |
COc1cc(OC)cc(N(CCN2CC[C@H](C#N)C2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
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| InChI |
InChI=1S/C26H27N7O2/c1-34-22-9-21(10-23(12-22)35-2)33(8-7-32-6-5-18(13-27)17-32)20-3-4-24-25(11-20)31-26(16-28-24)19-14-29-30-15-19/h3-4,9-12,14-16,18H,5-8,17H2,1-2H3,(H,29,30)/t18-/m1/s1
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| InChIKey |
NAFMCDLLMRKVNJ-GOSISDBHSA-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