General Information of the Compound
| Compound ID |
CP0573945
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| Compound Name |
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-amine;trihydrochloride
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| Structure |
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| Formula |
C22H30Cl3F2N7O3
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| Molecular Weight |
584.883
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| Canonical SMILES |
Cl.Cl.Cl.COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCN4CCNCC4)c3)nc2)c1F
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| InChI |
InChI=1S/C22H27F2N7O3.3ClH/c1-32-18-9-19(33-2)21(24)17(20(18)23)14-34-16-11-26-22(27-12-16)29-15-10-28-31(13-15)8-7-30-5-3-25-4-6-30;;;/h9-13,25H,3-8,14H2,1-2H3,(H,26,27,29);3*1H
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| InChIKey |
NCPIYNGRJGPLEP-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: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2