General Information of the Compound
| Compound ID |
CP0238685
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| Compound Name |
1-[(4-methoxyphenyl)methyl]-4-oxo-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C39H44N4O3
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| Molecular Weight |
616.806
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| Canonical SMILES |
COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C39H44N4O3/c1-46-29-22-20-28(21-23-29)26-43-27-33(38(44)32-16-8-11-19-36(32)43)39(45)41-25-13-5-3-2-4-12-24-40-37-30-14-6-9-17-34(30)42-35-18-10-7-15-31(35)37/h6,8-9,11,14,16-17,19-23,27H,2-5,7,10,12-13,15,18,24-26H2,1H3,(H,40,42)(H,41,45)
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| InChIKey |
YKNBDIOCHDAMFY-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