General Information of the Compound
| Compound ID |
CP0564805
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| Compound Name |
3-(imidazol-1-ylmethyl)-6-nitroxanthen-9-one
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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)c1ccc2c(c1)oc1cc(Cn3ccnc3)ccc1c2=O
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| InChI |
InChI=1S/C17H11N3O4/c21-17-13-3-1-11(9-19-6-5-18-10-19)7-15(13)24-16-8-12(20(22)23)2-4-14(16)17/h1-8,10H,9H2
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| InChIKey |
BKRHWHIHCFNRBV-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