General Information of the Compound
| Compound ID |
CP0167934
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| Compound Name |
6-[6-(3-methylpiperidin-1-yl)hexoxy]-2-phenyl-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C27H35NO3
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| Molecular Weight |
421.581
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| Canonical SMILES |
CC1CCCN(CCCCCCOc2ccc3OC(CC(=O)c3c2)c2ccccc2)C1
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| InChI |
InChI=1S/C27H35NO3/c1-21-10-9-16-28(20-21)15-7-2-3-8-17-30-23-13-14-26-24(18-23)25(29)19-27(31-26)22-11-5-4-6-12-22/h4-6,11-14,18,21,27H,2-3,7-10,15-17,19-20H2,1H3
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| InChIKey |
HMZBNISOSPDRAV-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