General Information of the Compound
| Compound ID |
CP0526067
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| Compound Name |
6-methoxy-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 |
C22H23F3N2O3S
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| Molecular Weight |
452.498
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| Canonical SMILES |
COc1ccc2n(c3CCC(Cc3c2c1)N(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N2O3S/c1-26(2)15-7-9-20-18(12-15)19-13-16(30-3)8-10-21(19)27(20)31(28,29)17-6-4-5-14(11-17)22(23,24)25/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3
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| InChIKey |
ADGNYVSGEVQHLZ-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