General Information of the Compound
| Compound ID |
CP0451653
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| Compound Name |
2-[6-(4-methylpiperidin-1-yl)hexoxy]xanthen-9-one
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| Formula |
C25H31NO3
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| Molecular Weight |
393.527
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| Canonical SMILES |
CC1CCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
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| InChI |
InChI=1S/C25H31NO3/c1-19-12-15-26(16-13-19)14-6-2-3-7-17-28-20-10-11-24-22(18-20)25(27)21-8-4-5-9-23(21)29-24/h4-5,8-11,18-19H,2-3,6-7,12-17H2,1H3
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| InChIKey |
IMIDSGXDTGNBGW-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