General Information of the Compound
| Compound ID |
CP0119043
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| Compound Name |
6-methyl-2-[4-(6-piperidin-1-ylhexoxy)phenyl]chromen-4-one
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| Structure |
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| Formula |
C27H33NO3
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| Molecular Weight |
419.565
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C27H33NO3/c1-21-9-14-26-24(19-21)25(29)20-27(31-26)22-10-12-23(13-11-22)30-18-8-3-2-5-15-28-16-6-4-7-17-28/h9-14,19-20H,2-8,15-18H2,1H3
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| InChIKey |
NDDYCWJCTGXGIS-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