General Information of the Compound
| Compound ID |
CP0925352
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| Compound Name |
rac-N-Methyl[9-(3-trifluoromethylphenylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amine hydrochloride
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| Structure |
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| Formula |
C20H20ClF3N2O2S
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| Molecular Weight |
444.906
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| Canonical SMILES |
CNC1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.Cl
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| InChI |
InChI=1S/C20H19F3N2O2S.ClH/c1-24-14-9-10-19-17(12-14)16-7-2-3-8-18(16)25(19)28(26,27)15-6-4-5-13(11-15)20(21,22)23;/h2-8,11,14,24H,9-10,12H2,1H3;1H
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| InChIKey |
GRNWLULSBKLATH-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