General Information of the Compound
| Compound ID |
CP0544375
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| Compound Name |
6-chloro-2-[6-(4-methylpiperidin-1-yl)hexoxy]xanthen-9-one
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| Formula |
C25H30ClNO3
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| Molecular Weight |
427.972
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| Canonical SMILES |
CC1CCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1
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| InChI |
InChI=1S/C25H30ClNO3/c1-18-10-13-27(14-11-18)12-4-2-3-5-15-29-20-7-9-23-22(17-20)25(28)21-8-6-19(26)16-24(21)30-23/h6-9,16-18H,2-5,10-15H2,1H3
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| InChIKey |
DONNAKRKYALRDB-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