General Information of the Compound
| Compound ID |
CP0494632
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| Compound Name |
2-(((1R,5S)-6-((4-chloro-2-fluorophenoxy)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 |
C21H21ClFN3O
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| Molecular Weight |
385.87
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| Canonical SMILES |
Cn1c(CN2C[C@H]3C(COc4ccc(Cl)cc4F)[C@H]3C2)nc2ccccc12
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| InChI |
InChI=1S/C21H21ClFN3O/c1-25-19-5-3-2-4-18(19)24-21(25)11-26-9-14-15(10-26)16(14)12-27-20-7-6-13(22)8-17(20)23/h2-8,14-16H,9-12H2,1H3/t14-,15+,16?
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| InChIKey |
COZAYWMOVJHAOV-XYPWUTKMSA-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