General Information of the Compound
| Compound ID |
CP0570287
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| Compound Name |
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[3-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C31H40F2N6O4
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| Molecular Weight |
598.695
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| Canonical SMILES |
CCOc1cc(Nc2ncc(OCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCC(CC1)N1CCN(C)CC1
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| InChI |
InChI=1S/C31H40F2N6O4/c1-5-42-26-16-21(6-7-25(26)39-10-8-22(9-11-39)38-14-12-37(2)13-15-38)36-31-34-18-23(19-35-31)43-20-24-29(32)27(40-3)17-28(41-4)30(24)33/h6-7,16-19,22H,5,8-15,20H2,1-4H3,(H,34,35,36)
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| InChIKey |
MMUPSFVFBRAVOH-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