General Information of the Compound
| Compound ID |
CP0532350
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| Compound Name |
4-bromo-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazol-3-yl]phenol
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| Structure |
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| Formula |
C17H14BrF3N2O3S
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| Molecular Weight |
463.275
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| Canonical SMILES |
CC1=NN(C(C1)c1cc(Br)ccc1O)S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H14BrF3N2O3S/c1-10-8-15(14-9-12(18)4-7-16(14)24)23(22-10)27(25,26)13-5-2-11(3-6-13)17(19,20)21/h2-7,9,15,24H,8H2,1H3
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| InChIKey |
NCLLULMXYMMBRN-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