General Information of the Compound
| Compound ID |
CP0558552
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| Compound Name |
N-(2-aminophenyl)-5-[[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]amino]pyridine-2-carboxamide
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| Structure |
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| Formula |
C31H27N9O3
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| Molecular Weight |
573.617
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(=O)n(CCOc2ccnc3cc(Nc4ccc(nc4)C(=O)Nc4ccccc4N)ccc23)n1
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| InChI |
InChI=1S/C31H27N9O3/c1-39-19-20(17-35-39)25-10-11-30(41)40(38-25)14-15-43-29-12-13-33-28-16-21(6-8-23(28)29)36-22-7-9-27(34-18-22)31(42)37-26-5-3-2-4-24(26)32/h2-13,16-19,36H,14-15,32H2,1H3,(H,37,42)
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| InChIKey |
OWTPWQUSKAAQEF-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