General Information of the Compound
| Compound ID |
CP0503229
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| Compound Name |
ethyl 7-cycloheptyloxy-2-oxochromene-3-carboxylate
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| Structure |
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| Formula |
C19H22O5
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| Molecular Weight |
330.38
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| Canonical SMILES |
CCOC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O
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| InChI |
InChI=1S/C19H22O5/c1-2-22-18(20)16-11-13-9-10-15(12-17(13)24-19(16)21)23-14-7-5-3-4-6-8-14/h9-12,14H,2-8H2,1H3
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| InChIKey |
NJYUFSPLSXCNJO-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