General Information of the Compound
| Compound ID |
CP0565760
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| Compound Name |
1-[3-(5-bromo-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-chloroethanone
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| Structure |
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| Formula |
C12H12BrClN2O2
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| Molecular Weight |
331.597
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| Canonical SMILES |
CC1=NN(C(C1)c1cc(Br)ccc1O)C(=O)CCl
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| InChI |
InChI=1S/C12H12BrClN2O2/c1-7-4-10(16(15-7)12(18)6-14)9-5-8(13)2-3-11(9)17/h2-3,5,10,17H,4,6H2,1H3
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| InChIKey |
XWTDBKYHGYCFPW-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