General Information of the Compound
| Compound ID |
CP0508602
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| Compound Name |
4-butan-2-yloxy-1-(imidazol-1-ylmethyl)xanthen-9-one
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| Structure |
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| Formula |
C21H20N2O3
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| Molecular Weight |
348.402
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| Canonical SMILES |
CCC(C)Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
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| InChI |
InChI=1S/C21H20N2O3/c1-3-14(2)25-18-9-8-15(12-23-11-10-22-13-23)19-20(24)16-6-4-5-7-17(16)26-21(18)19/h4-11,13-14H,3,12H2,1-2H3
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| InChIKey |
LBQPGQYUZRSKKW-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