General Information of the Compound
| Compound ID |
CP0509675
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| Compound Name |
3-(1-methyl-1H-pyrazol-4-yl)cyclohex-2-enone
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| Structure |
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| Formula |
C10H12N2O
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| Molecular Weight |
176.219
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| Canonical SMILES |
Cn1cc(cn1)C1=CC(=O)CCC1
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| InChI |
InChI=1S/C10H12N2O/c1-12-7-9(6-11-12)8-3-2-4-10(13)5-8/h5-7H,2-4H2,1H3
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| InChIKey |
XGXIUULTBIVRNV-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