General Information of the Compound
| Compound ID |
CP0331534
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| Compound Name |
3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxynaphthalen-1-yl)propan-1-one
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| Structure |
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| Formula |
C27H29NO4
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| Molecular Weight |
431.532
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| Canonical SMILES |
CC1CC(C)CN(C1)C(=O)CC(c1ccc2OCOc2c1)c1c(O)ccc2ccccc12
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| InChI |
InChI=1S/C27H29NO4/c1-17-11-18(2)15-28(14-17)26(30)13-22(20-8-10-24-25(12-20)32-16-31-24)27-21-6-4-3-5-19(21)7-9-23(27)29/h3-10,12,17-18,22,29H,11,13-16H2,1-2H3
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| InChIKey |
GHIZAPNFTRDBKZ-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