General Information of the Compound
| Compound ID |
CP0266897
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| Compound Name |
1-((1H-imidazol-1-yl)methyl)-4-nitro-9H-xanthen-9-one
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| Synonyms |
1-(imidazol-1-ylmethyl)-4-nitro-9h-9-xanthenone
1-Imidazol-1-ylmethyl-4-nitro-xanthen-9-one
4-Nitro-1-(1H-imidazole-1-ylmethyl)-9H-xanthene-9-one
BDBM50097363
CHEMBL307160
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| Structure |
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| Formula |
C17H11N3O4
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| Molecular Weight |
321.292
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
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| InChI |
InChI=1S/C17H11N3O4/c21-16-12-3-1-2-4-14(12)24-17-13(20(22)23)6-5-11(15(16)17)9-19-8-7-18-10-19/h1-8,10H,9H2
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| InChIKey |
VKGUMSNSPMTJMS-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