General Information of the Compound
| Compound ID |
CP0459264
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| Compound Name |
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)butyl]quinoline-3-sulfonamide
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| Structure |
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| Formula |
C22H31N3O2S
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| Molecular Weight |
401.576
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| Canonical SMILES |
O=S(=O)(NCCCCN1CCC2CCCCC2C1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C22H31N3O2S/c26-28(27,21-15-19-8-3-4-10-22(19)23-16-21)24-12-5-6-13-25-14-11-18-7-1-2-9-20(18)17-25/h3-4,8,10,15-16,18,20,24H,1-2,5-7,9,11-14,17H2
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| InChIKey |
WXBBAKXKWONHGS-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