General Information of the Compound
| Compound ID |
CP0360393
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| Compound Name |
(E)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-phenylprop-2-en-1-one
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| Structure |
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| Formula |
C14H13ClN2O
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| Molecular Weight |
260.724
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| Canonical SMILES |
Cc1nn(C(=O)\C=C\c2ccccc2)c(C)c1Cl
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| InChI |
InChI=1S/C14H13ClN2O/c1-10-14(15)11(2)17(16-10)13(18)9-8-12-6-4-3-5-7-12/h3-9H,1-2H3/b9-8+
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| InChIKey |
ZQFLVBLKQSPDOE-CMDGGOBGSA-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
Protein ID: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Protein ID: PT01001, E3 ubiquitin-protein ligase XIAP
Protein ID: PT02911, Ectonucleoside triphosphate diphosphohydrolase 1
Protein ID: PT01953, Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Protein ID: PT03249, Ectonucleotide pyrophosphatase/phosphodiesterase family member 3