General Information of the Compound
| Compound ID |
CP0548196
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| Compound Name |
3-[(4-methylanilino)methyl]chromen-4-one
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| Structure |
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| Formula |
C17H15NO2
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| Molecular Weight |
265.312
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| Canonical SMILES |
Cc1ccc(NCc2coc3ccccc3c2=O)cc1
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| InChI |
InChI=1S/C17H15NO2/c1-12-6-8-14(9-7-12)18-10-13-11-20-16-5-3-2-4-15(16)17(13)19/h2-9,11,18H,10H2,1H3
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| InChIKey |
UUDNZSPMAOCVBO-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: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B