General Information of the Compound
| Compound ID |
CP0382081
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| Compound Name |
2-[4-(benzenesulfonyl)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
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| Structure |
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| Formula |
C19H29NO2S
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| Molecular Weight |
335.513
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| Canonical SMILES |
O=S(=O)(CCCCN1CCC2CCCCC2C1)c1ccccc1
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| InChI |
InChI=1S/C19H29NO2S/c21-23(22,19-10-2-1-3-11-19)15-7-6-13-20-14-12-17-8-4-5-9-18(17)16-20/h1-3,10-11,17-18H,4-9,12-16H2
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| InChIKey |
MTIXJHOVOPGZFL-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