General Information of the Compound
| Compound ID |
CP0485933
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| Compound Name |
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azaspiro[4.4]non-1-ene
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| Structure |
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| Formula |
C17H19N3O
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| Molecular Weight |
281.359
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| Canonical SMILES |
C(c1cnc[nH]1)c1cccc(c1)C1=NC2(CCCC2)CO1
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| InChI |
InChI=1S/C17H19N3O/c1-2-7-17(6-1)11-21-16(20-17)14-5-3-4-13(8-14)9-15-10-18-12-19-15/h3-5,8,10,12H,1-2,6-7,9,11H2,(H,18,19)
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| InChIKey |
LJRAXUNIHUDNOP-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