General Information of the Compound
| Compound ID |
CP0707089
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| Compound Name |
N1-(3-(1-(3-aminopropyl)-1H-pyrazol-4-yl)quinoxalin-6-yl)-N1-(3,5-dimethoxyphenyl)-N3-(2,2,2-trifluoroethyl)propane-1,3-diamine hydrochloride
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| Structure |
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| Formula |
C27H33ClF3N7O2
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| Molecular Weight |
580.055
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| Canonical SMILES |
COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(CCCN)c4)nc3c2)c1.Cl
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| InChI |
InChI=1S/C27H32F3N7O2.ClH/c1-38-22-11-21(12-23(14-22)39-2)37(10-4-8-32-18-27(28,29)30)20-5-6-24-25(13-20)35-26(16-33-24)19-15-34-36(17-19)9-3-7-31;/h5-6,11-17,32H,3-4,7-10,18,31H2,1-2H3;1H
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| InChIKey |
GIBFLJLQDVDIAP-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