General Information of the Compound
| Compound ID |
CP0508603
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| Compound Name |
4-(cyclopropylmethoxy)-1-(imidazol-1-ylmethyl)xanthen-9-one
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| Structure |
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| Formula |
C21H18N2O3
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| Molecular Weight |
346.386
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| Canonical SMILES |
O=c1c2ccccc2oc2c(OCC3CC3)ccc(Cn3ccnc3)c12
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| InChI |
InChI=1S/C21H18N2O3/c24-20-16-3-1-2-4-17(16)26-21-18(25-12-14-5-6-14)8-7-15(19(20)21)11-23-10-9-22-13-23/h1-4,7-10,13-14H,5-6,11-12H2
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| InChIKey |
NKWUYAGAAIUZCU-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