General Information of the Compound
| Compound ID |
CP0547220
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| Compound Name |
1-methyl-2-(((1R,5S)-6-((4-(trifluoromethyl)phenoxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C22H22F3N3O
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| Molecular Weight |
401.432
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| Canonical SMILES |
Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2ccccc12
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| InChI |
InChI=1S/C22H22F3N3O/c1-27-20-5-3-2-4-19(20)26-21(27)12-28-10-16-17(11-28)18(16)13-29-15-8-6-14(7-9-15)22(23,24)25/h2-9,16-18H,10-13H2,1H3/t16-,17+,18?
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| InChIKey |
WQJWGQOPARVNRN-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