General Information of the Compound
| Compound ID |
CP0254159
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| Compound Name |
1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxynaphthalen-1-yl)-3-(4-methylphenyl)propan-1-one
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| Structure |
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| Formula |
C27H31NO2
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| Molecular Weight |
401.55
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| Canonical SMILES |
CC1CC(C)CN(C1)C(=O)CC(c1ccc(C)cc1)c1c(O)ccc2ccccc12
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| InChI |
InChI=1S/C27H31NO2/c1-18-8-10-22(11-9-18)24(15-26(30)28-16-19(2)14-20(3)17-28)27-23-7-5-4-6-21(23)12-13-25(27)29/h4-13,19-20,24,29H,14-17H2,1-3H3
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| InChIKey |
NDXFAXFPWSKNFC-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