General Information of the Compound
| Compound ID |
CP0513783
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| Compound Name |
2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide
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| Formula |
C33H43N3O4
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| Molecular Weight |
545.724
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| Canonical SMILES |
COc1cc2OC(C)(CC(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)CCc2cc1O
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| InChI |
InChI=1S/C33H43N3O4/c1-33(17-16-23-20-28(37)30(39-2)21-29(23)40-33)22-31(38)34-18-10-4-3-5-11-19-35-32-24-12-6-8-14-26(24)36-27-15-9-7-13-25(27)32/h6,8,12,14,20-21,37H,3-5,7,9-11,13,15-19,22H2,1-2H3,(H,34,38)(H,35,36)
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| InChIKey |
RGXJEOGAMRWBRC-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