General Information of the Compound
| Compound ID |
CP0544720
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| Compound Name |
1-[3-(3,5-dibromo-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]propan-1-one
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| Structure |
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| Formula |
C13H14Br2N2O2
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| Molecular Weight |
390.075
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| Canonical SMILES |
CCC(=O)N1N=C(C)CC1c1cc(Br)cc(Br)c1O
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| InChI |
InChI=1S/C13H14Br2N2O2/c1-3-12(18)17-11(4-7(2)16-17)9-5-8(14)6-10(15)13(9)19/h5-6,11,19H,3-4H2,1-2H3
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| InChIKey |
IOBBGNSDKJLVPD-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