General Information of the Compound
| Compound ID |
CP0077505
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| Compound Name |
N-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
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| Structure |
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| Formula |
C35H35ClN4O3
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| Molecular Weight |
595.143
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| Canonical SMILES |
COc1ccc(Cn2cc(C(=O)NCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C35H35ClN4O3/c1-43-25-15-12-23(13-16-25)21-40-22-29(34(41)28-9-3-5-11-32(28)40)35(42)38-19-7-6-18-37-33-26-8-2-4-10-30(26)39-31-20-24(36)14-17-27(31)33/h3,5,9,11-17,20,22H,2,4,6-8,10,18-19,21H2,1H3,(H,37,39)(H,38,42)
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| InChIKey |
QEYUTNWPWKWLIR-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