General Information of the Compound
| Compound ID |
CP0222291
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| Compound Name |
1-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-4-carbonitrile
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| Structure |
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| Formula |
C18H11N3O2
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| Molecular Weight |
301.305
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| Canonical SMILES |
O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N
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| InChI |
InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)16-17(22)14-3-1-2-4-15(14)23-18(12)16/h1-8,11H,10H2
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| InChIKey |
ILCZWQUJENBNHZ-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