General Information of the Compound
| Compound ID |
CP0554948
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| Compound Name |
2-Hydroxymethyl-4-[5-(2-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C18H16F3N3O4S
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| Molecular Weight |
427.404
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| Canonical SMILES |
COc1ccccc1-c1cc(nn1-c1ccc(c(CO)c1)S(N)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C18H16F3N3O4S/c1-28-15-5-3-2-4-13(15)14-9-17(18(19,20)21)23-24(14)12-6-7-16(29(22,26)27)11(8-12)10-25/h2-9,25H,10H2,1H3,(H2,22,26,27)
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| InChIKey |
UHYRKCYAIABMIQ-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