General Information of the Compound
| Compound ID |
CP0549662
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| Compound Name |
6-chloro-2-[5-(4-methylpiperidin-1-yl)pentoxy]xanthen-9-one
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| Structure |
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| Formula |
C24H28ClNO3
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| Molecular Weight |
413.945
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| Canonical SMILES |
CC1CCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1
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| InChI |
InChI=1S/C24H28ClNO3/c1-17-9-12-26(13-10-17)11-3-2-4-14-28-19-6-8-22-21(16-19)24(27)20-7-5-18(25)15-23(20)29-22/h5-8,15-17H,2-4,9-14H2,1H3
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| InChIKey |
KIAUCSPOPNRBJQ-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