General Information of the Compound
| Compound ID |
CP0148437
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| Compound Name |
(9-Benzenesulfonyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-ylmethyl)-dimethyl-amine
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| Structure |
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| Formula |
C22H26N2O3S
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| Molecular Weight |
398.528
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| Canonical SMILES |
COc1ccc2n(c3CCCC(CN(C)C)c3c2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H26N2O3S/c1-23(2)15-16-8-7-11-21-22(16)19-14-17(27-3)12-13-20(19)24(21)28(25,26)18-9-5-4-6-10-18/h4-6,9-10,12-14,16H,7-8,11,15H2,1-3H3
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| InChIKey |
QSTVUAOHUFOUFR-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