General Information of the Compound
| Compound ID |
CP0414631
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| Compound Name |
7-fluoro-3-(1H-imidazol-5-ylmethyl)chromen-4-one
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| Structure |
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| Formula |
C13H9FN2O2
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| Molecular Weight |
244.225
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| Canonical SMILES |
Fc1ccc2c(c1)occ(Cc1c[nH]cn1)c2=O
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| InChI |
InChI=1S/C13H9FN2O2/c14-9-1-2-11-12(4-9)18-6-8(13(11)17)3-10-5-15-7-16-10/h1-2,4-7H,3H2,(H,15,16)
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| InChIKey |
RAMDGMPXIREKEE-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