General Information of the Compound
| Compound ID |
CP0456405
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| Compound Name |
4-(1H-Imidazol-1-ylmethyl)-7-[(3-nitrobenzyl)oxy]-2H-chromen-2-one
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| Structure |
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| Formula |
C20H15N3O5
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| Molecular Weight |
377.356
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| Canonical SMILES |
[O-][N+](=O)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
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| InChI |
InChI=1S/C20H15N3O5/c24-20-9-15(11-22-7-6-21-13-22)18-5-4-17(10-19(18)28-20)27-12-14-2-1-3-16(8-14)23(25)26/h1-10,13H,11-12H2
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| InChIKey |
SPIWIFUAIGGWMR-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