General Information of the Compound
| Compound ID |
CP0043178
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| Compound Name |
1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-one
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| Synonyms |
1-(1H-Imidazole-1-ylmethyl)-4-bromo-9H-xanthene-9-one
1-(imidazol-1-ylmethyl)-4-bromo-9h-9-xanthenone
331684-13-0
4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one
9H-Xanthen-9-one, 4-bromo-1-(1H-imidazol-1-ylmethyl)-
AKOS030562752
BDBM50097370
CHEMBL78322
CTK1B8690
DTXSID70440555
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| Structure |
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| Formula |
C17H11BrN2O2
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| Molecular Weight |
355.191
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| Canonical SMILES |
Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
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| InChI |
InChI=1S/C17H11BrN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2
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| InChIKey |
FSWPWGQUEZXZFV-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Clinical Information about the Compound