General Information of the Compound
| Compound ID |
CP0436001
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| Compound Name |
(E)-3-(3-Amino-4-hydroxybenzylidene)chroman-4-one
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| Structure |
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| Formula |
C16H13NO3
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| Molecular Weight |
267.284
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| Canonical SMILES |
Nc1cc(\C=C2/COc3ccccc3C2=O)ccc1O
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| InChI |
InChI=1S/C16H13NO3/c17-13-8-10(5-6-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,18H,9,17H2/b11-7+
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| InChIKey |
ZIHNBSAQKASXAJ-YRNVUSSQSA-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