General Information of the Compound
| Compound ID |
CP0963840
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| Compound Name |
(2S,3R,4S,5S,6R)-2-[4-(4-Ethyl-benzyl)-5-trifluoromethyl-1H-pyrazol-3-yloxy]-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
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| Structure |
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| Formula |
C19H23F3N2O6
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| Molecular Weight |
432.395
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| Canonical SMILES |
CCc1ccc(Cc2c(C(F)(F)F)n[nH]c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C19H23F3N2O6/c1-2-9-3-5-10(6-4-9)7-11-16(19(20,21)22)23-24-17(11)30-18-15(28)14(27)13(26)12(8-25)29-18/h3-6,12-15,18,25-28H,2,7-8H2,1H3,(H,23,24)/t12-,13-,14+,15-,18+/m1/s1
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| InChIKey |
KCZDEMMGMVMSRM-NSIVTLKISA-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