General Information of the Compound
| Compound ID |
CP0553842
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| Compound Name |
1-[2-[1-(benzenesulfonyl)cyclobutyl]ethyl]-3-phenylpyrrolidine
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| Structure |
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| Formula |
C22H27NO2S
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| Molecular Weight |
369.53
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| Canonical SMILES |
O=S(=O)(c1ccccc1)C1(CCN2CCC(C2)c2ccccc2)CCC1
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| InChI |
InChI=1S/C22H27NO2S/c24-26(25,21-10-5-2-6-11-21)22(13-7-14-22)15-17-23-16-12-20(18-23)19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2
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| InChIKey |
XFZMDEYTXRAASF-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