General Information of the Compound
| Compound ID |
CP0500489
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| Compound Name |
4-cyclopentyloxy-1-(imidazol-1-ylmethyl)xanthen-9-one
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| Structure |
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| Formula |
C22H20N2O3
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| Molecular Weight |
360.413
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| Canonical SMILES |
O=c1c2ccccc2oc2c(OC3CCCC3)ccc(Cn3ccnc3)c12
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| InChI |
InChI=1S/C22H20N2O3/c25-21-17-7-3-4-8-18(17)27-22-19(26-16-5-1-2-6-16)10-9-15(20(21)22)13-24-12-11-23-14-24/h3-4,7-12,14,16H,1-2,5-6,13H2
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| InChIKey |
KUGSZDPIYOMNBS-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