General Information of the Compound
| Compound ID |
CP0704713
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| Compound Name |
N1-(3,4-difluoro-5-methoxyphenyl)-N1-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)-N3-(2,2,2-trifluoroethyl)propane-1,3-diamine hydrochloride
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| Structure |
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| Formula |
C24H24ClF5N6O
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| Molecular Weight |
542.94
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| Canonical SMILES |
COc1cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc(F)c1F.Cl
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| InChI |
InChI=1S/C24H23F5N6O.ClH/c1-34-13-15(11-32-34)21-12-31-19-5-4-16(9-20(19)33-21)35(7-3-6-30-14-24(27,28)29)17-8-18(25)23(26)22(10-17)36-2;/h4-5,8-13,30H,3,6-7,14H2,1-2H3;1H
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| InChIKey |
NLPURMNELMPMII-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