General Information of the Compound
| Compound ID |
CP0543518
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| Compound Name |
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C25H29F2N5O4
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| Molecular Weight |
501.534
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| Canonical SMILES |
COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)nc2)c1F
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| InChI |
InChI=1S/C25H29F2N5O4/c1-31-7-9-32(10-8-31)19-6-5-16(11-20(19)33-2)30-25-28-13-17(14-29-25)36-15-18-23(26)21(34-3)12-22(35-4)24(18)27/h5-6,11-14H,7-10,15H2,1-4H3,(H,28,29,30)
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| InChIKey |
ZNKAWHBEDZZJIA-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