General Information of the Compound
| Compound ID |
CP0544028
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| Compound Name |
6-(1-benzyl-5-ethylbenzimidazol-2-yl)-2-oxa-6-azaspiro[3.3]heptane
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
CCc1ccc2n(Cc3ccccc3)c(nc2c1)N1CC2(COC2)C1
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| InChI |
InChI=1S/C21H23N3O/c1-2-16-8-9-19-18(10-16)22-20(23-12-21(13-23)14-25-15-21)24(19)11-17-6-4-3-5-7-17/h3-10H,2,11-15H2,1H3
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| InChIKey |
WTZVIBFLZWPASV-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