General Information of the Compound
| Compound ID |
CP0451194
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| Compound Name |
2-bromo-4,5-dimethoxy-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H24BrF3N2O5S
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| Molecular Weight |
553.397
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| Canonical SMILES |
COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(OC[C@H]2CCCN2C)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H24BrF3N2O5S/c1-27-8-4-5-14(27)12-32-17-9-13(6-7-15(17)21(23,24)25)26-33(28,29)20-11-19(31-3)18(30-2)10-16(20)22/h6-7,9-11,14,26H,4-5,8,12H2,1-3H3/t14-/m1/s1
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| InChIKey |
JMQNCCWMPGDMET-CQSZACIVSA-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