General Information of the Compound
| Compound ID |
CP0717319
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| Compound Name |
N1-(3-(1H-pyrazol-4-yl)quinoxalin-6-yl)-N1-(2-chloro-5-methoxyphenyl)-N2-isopropylethane-1,2-diamine hydrochloride
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| Structure |
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| Formula |
C23H26Cl2N6O
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| Molecular Weight |
473.408
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| Canonical SMILES |
COc1ccc(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C23H25ClN6O.ClH/c1-15(2)25-8-9-30(23-11-18(31-3)5-6-19(23)24)17-4-7-20-21(10-17)29-22(14-26-20)16-12-27-28-13-16;/h4-7,10-15,25H,8-9H2,1-3H3,(H,27,28);1H
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| InChIKey |
FZTNKJMQOBATKX-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