General Information of the Compound
| Compound ID |
CP0490661
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| Compound Name |
(E)-1-(2-methylpyrazol-3-yl)-5-phenylpent-2-en-1-one
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| Formula |
C15H16N2O
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| Molecular Weight |
240.306
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| Canonical SMILES |
Cn1nccc1C(=O)\C=C\CCc1ccccc1
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| InChI |
InChI=1S/C15H16N2O/c1-17-14(11-12-16-17)15(18)10-6-5-9-13-7-3-2-4-8-13/h2-4,6-8,10-12H,5,9H2,1H3/b10-6+
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| InChIKey |
QPASQZRQYPBQNW-UXBLZVDNSA-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