General Information of the Compound
| Compound ID |
CP0569860
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| Compound Name |
N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-5-amine
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| Structure |
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| Formula |
C27H34F2N8O3
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| Molecular Weight |
556.618
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| Canonical SMILES |
COc1cc(OC)c(F)c(COc2cnc(Nc3cnc(nc3)N3CCC(CC3)N3CCN(C)CC3)nc2)c1F
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| InChI |
InChI=1S/C27H34F2N8O3/c1-35-8-10-36(11-9-35)19-4-6-37(7-5-19)27-32-13-18(14-33-27)34-26-30-15-20(16-31-26)40-17-21-24(28)22(38-2)12-23(39-3)25(21)29/h12-16,19H,4-11,17H2,1-3H3,(H,30,31,34)
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| InChIKey |
MIOPZVIHARQDEU-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