General Information of the Compound
| Compound ID |
CP0487920
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| Compound Name |
4-(imidazol-1-ylmethyl)-7-[(4-propan-2-yloxyphenyl)methoxy]chromen-2-one
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| Structure |
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| Formula |
C23H22N2O4
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| Molecular Weight |
390.439
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| Canonical SMILES |
CC(C)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
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| InChI |
InChI=1S/C23H22N2O4/c1-16(2)28-19-5-3-17(4-6-19)14-27-20-7-8-21-18(13-25-10-9-24-15-25)11-23(26)29-22(21)12-20/h3-12,15-16H,13-14H2,1-2H3
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| InChIKey |
GBHJIQHETMVFEI-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