General Information of the Compound
| Compound ID |
CP0444429
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| Compound Name |
N-(2-aminophenyl)-5-[3-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxypropoxy]pyridine-2-carboxamide
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| Structure |
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| Formula |
C34H32N8O5
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| Molecular Weight |
632.681
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(=O)n(CCOc2ccnc3cc(OCCCOc4ccc(nc4)C(=O)Nc4ccccc4N)ccc23)n1
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| InChI |
InChI=1S/C34H32N8O5/c1-41-22-23(20-38-41)28-11-12-33(43)42(40-28)15-18-47-32-13-14-36-31-19-24(7-9-26(31)32)45-16-4-17-46-25-8-10-30(37-21-25)34(44)39-29-6-3-2-5-27(29)35/h2-3,5-14,19-22H,4,15-18,35H2,1H3,(H,39,44)
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| InChIKey |
MGHILXJDAYVODV-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