General Information of the Compound
| Compound ID |
CP0502360
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| Compound Name |
1-[2-[(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
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| Structure |
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| Formula |
C18H26Cl2N2O2S
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| Molecular Weight |
405.391
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| Canonical SMILES |
CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m0/s1
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| InChIKey |
OQCUZRRTKCFWET-HNNXBMFYSA-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