General Information of the Compound
| Compound ID |
CP0408606
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| Compound Name |
N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C24H27ClN6O4
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| Molecular Weight |
498.971
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CO)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C24H27ClN6O4/c1-30-8-10-31(11-9-30)17-6-7-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-5-3-4-16(12-18)27-22(33)15-32/h3-7,12-14,32H,8-11,15H2,1-2H3,(H,27,33)(H,26,28,29)
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| InChIKey |
GJWFUQFKMMOYFI-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: PT00922, Epidermal growth factor receptor
Protein ID: PT03338, Tyrosine-protein kinase ABL1