General Information of the Compound
| Compound ID |
CP0327016
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| Compound Name |
3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-5-methylphenyl)propan-1-one
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| Structure |
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| Formula |
C24H29NO4
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| Molecular Weight |
395.499
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| Canonical SMILES |
CC1CC(C)CN(C1)C(=O)CC(c1ccc2OCOc2c1)c1cc(C)ccc1O
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| InChI |
InChI=1S/C24H29NO4/c1-15-4-6-21(26)20(9-15)19(18-5-7-22-23(10-18)29-14-28-22)11-24(27)25-12-16(2)8-17(3)13-25/h4-7,9-10,16-17,19,26H,8,11-14H2,1-3H3
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| InChIKey |
FKTXLFGWWUTSQI-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