General Information of the Compound
| Compound ID |
CP0082780
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| Compound Name |
1-[(4-methoxyphenyl)methyl]-4-oxo-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C33H32N4O3
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| Molecular Weight |
532.644
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| Canonical SMILES |
COc1ccc(Cn2cc(C(=O)NCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C33H32N4O3/c1-40-23-16-14-22(15-17-23)20-37-21-27(32(38)26-10-4-7-13-30(26)37)33(39)35-19-18-34-31-24-8-2-5-11-28(24)36-29-12-6-3-9-25(29)31/h2,4-5,7-8,10-11,13-17,21H,3,6,9,12,18-20H2,1H3,(H,34,36)(H,35,39)
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| InChIKey |
ARPJWCQYPTWXJZ-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