General Information of the Compound
| Compound ID |
CP0438870
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| Compound Name |
2-[2-(Ethyl-hydroxy-amino)-ethyl]-6H-dibenzo[b,e]oxepin-11-one
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| Structure |
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| Formula |
C18H19NO3
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| Molecular Weight |
297.354
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| Canonical SMILES |
CCN(O)CCc1ccc2OCc3ccccc3C(=O)c2c1
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| InChI |
InChI=1S/C18H19NO3/c1-2-19(21)10-9-13-7-8-17-16(11-13)18(20)15-6-4-3-5-14(15)12-22-17/h3-8,11,21H,2,9-10,12H2,1H3
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| InChIKey |
KXMMGQLBJHBUEG-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