General Information of the Compound
| Compound ID |
CP0170230
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| Compound Name |
2-(3-Methyl-1-tosyl-4,5-dihydro-1H-pyrazol-5-yl)phenol
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| Structure |
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| Formula |
C17H18N2O3S
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| Molecular Weight |
330.409
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| Canonical SMILES |
CC1=NN(C(C1)c1ccccc1O)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C17H18N2O3S/c1-12-7-9-14(10-8-12)23(21,22)19-16(11-13(2)18-19)15-5-3-4-6-17(15)20/h3-10,16,20H,11H2,1-2H3
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| InChIKey |
HFSCUGRKIMEXGT-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