General Information of the Compound
| Compound ID |
CP0475220
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| Compound Name |
1-[4-[1-(benzenesulfonyl)cyclobutyl]butyl]-3-phenylpyrrolidine
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| Structure |
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| Formula |
C24H31NO2S
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| Molecular Weight |
397.584
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| Canonical SMILES |
O=S(=O)(c1ccccc1)C1(CCCCN2CCC(C2)c2ccccc2)CCC1
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| InChI |
InChI=1S/C24H31NO2S/c26-28(27,23-12-5-2-6-13-23)24(16-9-17-24)15-7-8-18-25-19-14-22(20-25)21-10-3-1-4-11-21/h1-6,10-13,22H,7-9,14-20H2
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| InChIKey |
AJDFXSUCMWUTDH-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