General Information of the Compound
| Compound ID |
CP0561789
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| Compound Name |
N-(2-aminophenyl)-3-[4-[[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxymethyl]phenyl]propanamide
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| Structure |
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| Formula |
C35H33N7O4
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| Molecular Weight |
615.694
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(=O)n(CCOc2ccnc3cc(OCc4ccc(CCC(=O)Nc5ccccc5N)cc4)ccc23)n1
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| InChI |
InChI=1S/C35H33N7O4/c1-41-22-26(21-38-41)30-13-15-35(44)42(40-30)18-19-45-33-16-17-37-32-20-27(11-12-28(32)33)46-23-25-8-6-24(7-9-25)10-14-34(43)39-31-5-3-2-4-29(31)36/h2-9,11-13,15-17,20-22H,10,14,18-19,23,36H2,1H3,(H,39,43)
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| InChIKey |
ATIGBTFWYSUQKG-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