General Information of the Compound
| Compound ID |
CP0475221
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| Compound Name |
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine
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| Structure |
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| Formula |
C23H29NO2S
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| Molecular Weight |
383.557
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| Canonical SMILES |
O=S(=O)(c1ccccc1)C1(CCCN2CCC(C2)c2ccccc2)CCC1
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| InChI |
InChI=1S/C23H29NO2S/c25-27(26,22-11-5-2-6-12-22)23(14-7-15-23)16-8-17-24-18-13-21(19-24)20-9-3-1-4-10-20/h1-6,9-12,21H,7-8,13-19H2
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| InChIKey |
PJRGVOUAMJUVDM-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