General Information of the Compound
| Compound ID |
CP0574966
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| Compound Name |
5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C31H40F2N6O3
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| Molecular Weight |
582.696
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| Canonical SMILES |
COc1cc(OC)c(F)c(CCc2cnc(Nc3ccc(N4CCC(CC4)N4CCN(C)CC4)c(OC)c3)nc2)c1F
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| InChI |
InChI=1S/C31H40F2N6O3/c1-37-13-15-38(16-14-37)23-9-11-39(12-10-23)25-8-6-22(17-26(25)40-2)36-31-34-19-21(20-35-31)5-7-24-29(32)27(41-3)18-28(42-4)30(24)33/h6,8,17-20,23H,5,7,9-16H2,1-4H3,(H,34,35,36)
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| InChIKey |
ZUURNUDMSWVVCL-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