General Information of the Compound
| Compound ID |
CP0553443
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| Compound Name |
N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)acetamide
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| Formula |
C35H46ClN3O4
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| Molecular Weight |
608.223
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| Canonical SMILES |
COc1cc2OC(C)(CC(=O)NCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1O
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| InChI |
InChI=1S/C35H46ClN3O4/c1-35(17-16-24-20-30(40)32(42-2)22-31(24)43-35)23-33(41)37-18-10-6-4-3-5-7-11-19-38-34-26-12-8-9-13-28(26)39-29-21-25(36)14-15-27(29)34/h14-15,20-22,40H,3-13,16-19,23H2,1-2H3,(H,37,41)(H,38,39)
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| InChIKey |
UBUVCITWHPAWGO-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