General Information of the Compound
| Compound ID |
CP0554972
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| Compound Name |
2-Hydroxymethyl-4-(5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
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| Structure |
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| Formula |
C17H14F3N3O3S
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| Molecular Weight |
397.378
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| Canonical SMILES |
NS(=O)(=O)c1ccc(cc1CO)-n1nc(cc1-c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-14(11-4-2-1-3-5-11)23(22-16)13-6-7-15(27(21,25)26)12(8-13)10-24/h1-9,24H,10H2,(H2,21,25,26)
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| InChIKey |
YWWQYMDBKBDPFA-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