General Information of the Compound
| Compound ID |
CP0488013
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| Compound Name |
prop-2-enyl 8-formyl-9-hydroxy-6-oxo-1,2,3,5-tetrahydrochromeno[3,4-c]azepine-4-carboxylate
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| Structure |
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| Formula |
C18H17NO6
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| Molecular Weight |
343.335
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| Canonical SMILES |
Oc1ccc2c3CCCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C
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| InChI |
InChI=1S/C18H17NO6/c1-2-8-24-18(23)19-7-3-4-11-12-5-6-15(21)14(10-20)16(12)25-17(22)13(11)9-19/h2,5-6,10,21H,1,3-4,7-9H2
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| InChIKey |
VJQYOVRGTPQRNA-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