General Information of the Compound
| Compound ID |
CP0568052
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| Compound Name |
5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-[methyl-(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]pyrimidin-2-amine;tetrahydrochloride
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| Structure |
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| Formula |
C33H48Cl4F2N6O3
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| Molecular Weight |
756.594
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| Canonical SMILES |
Cl.Cl.Cl.Cl.COc1cc(OC)c(F)c(CCc2cnc(Nc3ccc(N4CCC(CC4)N(C)C4CCN(C)CC4)c(OC)c3)nc2)c1F
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| InChI |
InChI=1S/C33H44F2N6O3.4ClH/c1-39-14-10-24(11-15-39)40(2)25-12-16-41(17-13-25)27-9-7-23(18-28(27)42-3)38-33-36-20-22(21-37-33)6-8-26-31(34)29(43-4)19-30(44-5)32(26)35;;;;/h7,9,18-21,24-25H,6,8,10-17H2,1-5H3,(H,36,37,38);4*1H
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| InChIKey |
XTDZQQLWAXTHOZ-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