General Information of the Compound
| Compound ID |
CP0424615
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| Compound Name |
2-[5-(3-methylpiperidin-1-yl)pentoxy]xanthen-9-one
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| Structure |
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| Formula |
C24H29NO3
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| Molecular Weight |
379.5
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| Canonical SMILES |
CC1CCCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
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| InChI |
InChI=1S/C24H29NO3/c1-18-8-7-14-25(17-18)13-5-2-6-15-27-19-11-12-23-21(16-19)24(26)20-9-3-4-10-22(20)28-23/h3-4,9-12,16,18H,2,5-8,13-15,17H2,1H3
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| InChIKey |
ULETXKLQEAYDAN-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