General Information of the Compound
| Compound ID |
CP0484600
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| Compound Name |
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azaspiro[4.5]dec-2-ene
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| Structure |
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| Formula |
C18H21N3O
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| Molecular Weight |
295.386
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| Canonical SMILES |
C(c1cnc[nH]1)c1cccc(c1)C1=NCC2(CCCCC2)O1
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| InChI |
InChI=1S/C18H21N3O/c1-2-7-18(8-3-1)12-20-17(22-18)15-6-4-5-14(9-15)10-16-11-19-13-21-16/h4-6,9,11,13H,1-3,7-8,10,12H2,(H,19,21)
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| InChIKey |
WGOGUPXRBGGTQG-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