General Information of the Compound
| Compound ID |
CP0573935
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| Compound Name |
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[3-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C29H35F3N6O3
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| Molecular Weight |
572.632
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| Canonical SMILES |
COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCC(CC4)N4CCN(C)CC4)c(F)c3)nc2)c1F
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| InChI |
InChI=1S/C29H35F3N6O3/c1-36-10-12-37(13-11-36)20-6-8-38(9-7-20)24-5-4-19(14-23(24)30)35-29-33-16-21(17-34-29)41-18-22-27(31)25(39-2)15-26(40-3)28(22)32/h4-5,14-17,20H,6-13,18H2,1-3H3,(H,33,34,35)
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| InChIKey |
UEJDKYLMUXYNLX-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