General Information of the Compound
| Compound ID |
CP0554646
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| Compound Name |
3-(imidazol-1-ylmethyl)-6-phenoxyxanthen-9-one
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| Structure |
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| Formula |
C23H16N2O3
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| Molecular Weight |
368.392
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| Canonical SMILES |
O=c1c2ccc(Cn3ccnc3)cc2oc2cc(Oc3ccccc3)ccc12
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| InChI |
InChI=1S/C23H16N2O3/c26-23-19-8-6-16(14-25-11-10-24-15-25)12-21(19)28-22-13-18(7-9-20(22)23)27-17-4-2-1-3-5-17/h1-13,15H,14H2
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| InChIKey |
NXONZYGKHOEADF-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