General Information of the Compound
| Compound ID |
CP0514739
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| Compound Name |
2-(((1R,5S)-6-((4-isopropylphenoxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-1-methyl-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C24H29N3O
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| Molecular Weight |
375.516
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| Canonical SMILES |
CC(C)c1ccc(OCC2[C@@H]3CN(Cc4nc5ccccc5n4C)C[C@H]23)cc1
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| InChI |
InChI=1S/C24H29N3O/c1-16(2)17-8-10-18(11-9-17)28-15-21-19-12-27(13-20(19)21)14-24-25-22-6-4-5-7-23(22)26(24)3/h4-11,16,19-21H,12-15H2,1-3H3/t19-,20+,21?
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| InChIKey |
NLLIYFVKRLKJBW-WCRBZPEASA-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