General Information of the Compound
| Compound ID |
CP0849906
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| Compound Name |
2,6-Dimethoxy-4-[2-(5-methyl-1H-pyrazol-3-yl)-vinyl]-phenol
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| Structure |
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| Formula |
C14H16N2O3
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| Molecular Weight |
260.293
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| Canonical SMILES |
COc1cc(/C=C/c2cc(C)n[nH]2)cc(OC)c1O
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| InChI |
InChI=1S/C14H16N2O3/c1-9-6-11(16-15-9)5-4-10-7-12(18-2)14(17)13(8-10)19-3/h4-8,17H,1-3H3,(H,15,16)/b5-4+
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| InChIKey |
BBHITBYRRFMRKX-SNAWJCMRSA-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