General Information of the Compound
| Compound ID |
CP0058618
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| Compound Name |
4-methyl-7-pyridin-3-yl-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C14H12N2O2
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| Molecular Weight |
240.262
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| Canonical SMILES |
CN1C(=O)COc2cc(ccc12)-c1cccnc1
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| InChI |
InChI=1S/C14H12N2O2/c1-16-12-5-4-10(11-3-2-6-15-8-11)7-13(12)18-9-14(16)17/h2-8H,9H2,1H3
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| InChIKey |
HVTJRSDRQJFKSG-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