General Information of the Compound
| Compound ID |
CP0077512
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| Compound Name |
1-[(4-methoxyphenyl)methyl]-N-[7-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-4-oxoquinoline-3-carboxamide
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| Structure |
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| Formula |
C39H44N4O4
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| Molecular Weight |
632.805
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| Canonical SMILES |
COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C39H44N4O4/c1-46-28-18-16-27(17-19-28)25-43-26-33(38(44)31-13-7-9-15-36(31)43)39(45)41-23-11-5-3-4-10-22-40-37-30-12-6-8-14-34(30)42-35-21-20-29(47-2)24-32(35)37/h7,9,13,15-21,24,26H,3-6,8,10-12,14,22-23,25H2,1-2H3,(H,40,42)(H,41,45)
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| InChIKey |
SGRUENDUBYUMQG-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