General Information of the Compound
| Compound ID |
CP0242657
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| Compound Name |
3-acetyl-7-(diethylamino)chromen-2-one
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| Structure |
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| Formula |
C15H17NO3
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| Molecular Weight |
259.305
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| Canonical SMILES |
CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1
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| InChI |
InChI=1S/C15H17NO3/c1-4-16(5-2)12-7-6-11-8-13(10(3)17)15(18)19-14(11)9-12/h6-9H,4-5H2,1-3H3
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| InChIKey |
JQYDECSZBZCKFQ-UHFFFAOYSA-N
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| CAS |
74696-96-1
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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: PT01362, Amine oxidase [flavin-containing] B
Protein ID: PT06109, Geminin