General Information of the Compound
| Compound ID |
CP0045228
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| Compound Name |
1-((S)-6-(((2R,6S)-2,6-dimethylpiperidin-1-yl)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-4-(4-fluorophenethyl)piperazin-2-one
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| Structure |
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| Formula |
C30H40FN3O
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| Molecular Weight |
477.668
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| Canonical SMILES |
C[C@H]1CCC[C@@H](C)N1Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
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| InChI |
InChI=1S/C30H40FN3O/c1-22-4-3-5-23(2)34(22)20-25-6-9-27-19-29(13-10-26(27)18-25)33-17-16-32(21-30(33)35)15-14-24-7-11-28(31)12-8-24/h6-9,11-12,18,22-23,29H,3-5,10,13-17,19-21H2,1-2H3/t22-,23+,29-/m0/s1
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| InChIKey |
HHQBGLFFTJIAEO-CTWZREHQSA-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