General Information of the Compound
| Compound ID |
CP0072749
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| Compound Name |
3,5-Dibromo-N-(4-bromophenyl)-2-hydroxybenzamide (31)
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| Structure |
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| Formula |
C13H8Br3NO2
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| Molecular Weight |
449.924
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| Canonical SMILES |
Oc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)cc1
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| InChI |
InChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
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| InChIKey |
KVSKGMLNBAPGKH-UHFFFAOYSA-N
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| CAS |
1322-38-9
98518-05-9
12738-72-6
12770-42-2
87-10-5
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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: PT01002, Cytochrome P450 1A2
Protein ID: PT00905, Cytochrome P450 2C9