General Information of the Compound
| Compound ID |
CP0399410
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| Compound Name |
3-(pyridin-4-ylmethyl)chromen-4-one
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| Structure |
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| Formula |
C15H11NO2
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| Molecular Weight |
237.258
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| Canonical SMILES |
O=c1c(Cc2ccncc2)coc2ccccc12
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| InChI |
InChI=1S/C15H11NO2/c17-15-12(9-11-5-7-16-8-6-11)10-18-14-4-2-1-3-13(14)15/h1-8,10H,9H2
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| InChIKey |
CKGJGNLNAFKOLX-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