General Information of the Compound
| Compound ID |
CP0513252
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| Compound Name |
N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
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| Structure |
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| Formula |
C37H39ClN4O3
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| Molecular Weight |
623.197
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| Canonical SMILES |
COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C37H39ClN4O3/c1-45-27-17-14-25(15-18-27)23-42-24-31(36(43)30-11-5-7-13-34(30)42)37(44)40-21-9-3-2-8-20-39-35-28-10-4-6-12-32(28)41-33-22-26(38)16-19-29(33)35/h5,7,11,13-19,22,24H,2-4,6,8-10,12,20-21,23H2,1H3,(H,39,41)(H,40,44)
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| InChIKey |
YFVYBUDUJCAOHJ-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