General Information of the Compound
| Compound ID |
CP0944865
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| Compound Name |
1-(4-Methylsulfanyl-benzyl)-5-trifluoromethyl-1,2-dihydro-pyrazol-3-one
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| Structure |
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| Formula |
C12H11F3N2OS
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| Molecular Weight |
288.294
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| Canonical SMILES |
CSc1ccc(Cn2[nH]c(=O)cc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C12H11F3N2OS/c1-19-9-4-2-8(3-5-9)7-17-10(12(13,14)15)6-11(18)16-17/h2-6H,7H2,1H3,(H,16,18)
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| InChIKey |
NWRVNGMMCVRMNV-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