General Information of the Compound
| Compound ID |
CP0572655
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| Compound Name |
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[1-[2-[(1-methylpiperidin-4-yl)amino]ethyl]pyrazol-4-yl]pyrimidin-2-amine;trihydrochloride
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| Structure |
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| Formula |
C24H34Cl3F2N7O3
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| Molecular Weight |
612.937
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| Canonical SMILES |
Cl.Cl.Cl.COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCNC4CCN(C)CC4)c3)nc2)c1F
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| InChI |
InChI=1S/C24H31F2N7O3.3ClH/c1-32-7-4-16(5-8-32)27-6-9-33-14-17(11-30-33)31-24-28-12-18(13-29-24)36-15-19-22(25)20(34-2)10-21(35-3)23(19)26;;;/h10-14,16,27H,4-9,15H2,1-3H3,(H,28,29,31);3*1H
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| InChIKey |
XBCDCIJJXHHPTB-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