General Information of the Compound
| Compound ID |
CP0475541
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| Compound Name |
[2-[2-(2-chloroacetyl)-5-methyl-3,4-dihydropyrazol-3-yl]phenyl] acetate
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| Structure |
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| Formula |
C14H15ClN2O3
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| Molecular Weight |
294.738
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| Canonical SMILES |
CC(=O)Oc1ccccc1C1CC(C)=NN1C(=O)CCl
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| InChI |
InChI=1S/C14H15ClN2O3/c1-9-7-12(17(16-9)14(19)8-15)11-5-3-4-6-13(11)20-10(2)18/h3-6,12H,7-8H2,1-2H3
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| InChIKey |
BBFPBRMSPJFOCR-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