General Information of the Compound
| Compound ID |
CP0399903
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| Compound Name |
1-methyl-2-(((1R,5S)-6-(phenoxymethyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-1H-benzo[d]imidazole
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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 |
Cn1c(CN2C[C@H]3C(COc4ccccc4)[C@H]3C2)nc2ccccc12
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| InChI |
InChI=1S/C21H23N3O/c1-23-20-10-6-5-9-19(20)22-21(23)13-24-11-16-17(12-24)18(16)14-25-15-7-3-2-4-8-15/h2-10,16-18H,11-14H2,1H3/t16-,17+,18?
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| InChIKey |
PEDAFARKKUXKIS-JWTNVVGKSA-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