General Information of the Compound
| Compound ID |
CP0917676
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| Compound Name |
rac-N-Methyl[6-methoxy-9-(3-trifluoromethylphenylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amine hydrochloride
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| Structure |
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| Formula |
C21H22ClF3N2O3S
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| Molecular Weight |
474.932
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| Canonical SMILES |
CNC1CCc2c(c3cc(OC)ccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.Cl
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| InChI |
InChI=1S/C21H21F3N2O3S.ClH/c1-25-14-6-8-19-17(11-14)18-12-15(29-2)7-9-20(18)26(19)30(27,28)16-5-3-4-13(10-16)21(22,23)24;/h3-5,7,9-10,12,14,25H,6,8,11H2,1-2H3;1H
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| InChIKey |
IHEFGTLEIXEYCG-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