General Information of the Compound
| Compound ID |
CP0543408
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| Compound Name |
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridin-3-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C28H35F2N7O3
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| Molecular Weight |
555.63
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| Canonical SMILES |
COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(nc3)N3CCC(CC3)N3CCN(C)CC3)nc2)c1F
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| InChI |
InChI=1S/C28H35F2N7O3/c1-35-10-12-36(13-11-35)20-6-8-37(9-7-20)25-5-4-19(15-31-25)34-28-32-16-21(17-33-28)40-18-22-26(29)23(38-2)14-24(39-3)27(22)30/h4-5,14-17,20H,6-13,18H2,1-3H3,(H,32,33,34)
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| InChIKey |
MYAWFSOGKJRLPC-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