General Information of the Compound
| Compound ID |
CP0188383
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| Compound Name |
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C16H22N2O3S
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| Molecular Weight |
322.43
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| Canonical SMILES |
CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O
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| InChI |
InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3
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| InChIKey |
KCSTYGPHSVKBQP-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