General Information of the Compound
| Compound ID |
CP0511390
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| Compound Name |
1-[2-[(2S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
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| Structure |
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| Formula |
C19H30N2O3S
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| Molecular Weight |
366.527
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)N1CCC[C@H]1CCN1CCC(C)CC1
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| InChI |
InChI=1S/C19H30N2O3S/c1-16-8-12-20(13-9-16)14-10-17-5-4-11-21(17)25(22,23)19-7-3-6-18(15-19)24-2/h3,6-7,15-17H,4-5,8-14H2,1-2H3/t17-/m0/s1
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| InChIKey |
SIGPAXROBLPQJS-KRWDZBQOSA-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