General Information of the Compound
| Compound ID |
CP0460012
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| Compound Name |
1-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C17H24N2O3S
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| Molecular Weight |
336.457
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| Canonical SMILES |
C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(cc1)N1CCCC1=O
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| InChI |
InChI=1S/C17H24N2O3S/c1-13-5-3-6-14(2)19(13)23(21,22)16-10-8-15(9-11-16)18-12-4-7-17(18)20/h8-11,13-14H,3-7,12H2,1-2H3/t13-,14-/m0/s1
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| InChIKey |
XCXAPZCDJCETGS-KBPBESRZSA-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