General Information of the Compound
| Compound ID |
CP0558168
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| Compound Name |
(E)-N-(2-aminophenyl)-3-[5-[[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxymethyl]pyridin-2-yl]prop-2-enamide
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| Structure |
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| Formula |
C34H30N8O4
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| Molecular Weight |
614.666
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(=O)n(CCOc2ccnc3cc(OCc4ccc(\C=C\C(=O)Nc5ccccc5N)nc4)ccc23)n1
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| InChI |
InChI=1S/C34H30N8O4/c1-41-21-24(20-38-41)29-11-13-34(44)42(40-29)16-17-45-32-14-15-36-31-18-26(9-10-27(31)32)46-22-23-6-7-25(37-19-23)8-12-33(43)39-30-5-3-2-4-28(30)35/h2-15,18-21H,16-17,22,35H2,1H3,(H,39,43)/b12-8+
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| InChIKey |
WXYGIDYHRYBZIF-XYOKQWHBSA-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