General Information of the Compound
| Compound ID |
CP0148435
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| Compound Name |
N,N-dimethyl-9-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,3,4-tetrahydrocarbazol-3-amine
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| Structure |
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| Formula |
C21H21F3N2O2S
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| Molecular Weight |
422.472
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| Canonical SMILES |
CN(C)C1CCc2c(C1)c1ccccc1n2S(=O)(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N2O2S/c1-25(2)15-10-11-20-18(13-15)17-8-3-4-9-19(17)26(20)29(27,28)16-7-5-6-14(12-16)21(22,23)24/h3-9,12,15H,10-11,13H2,1-2H3
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| InChIKey |
XNHXAWXVLOOHSD-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