General Information of the Compound
| Compound ID |
CP0458540
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| Compound Name |
3-methyl-2-(((1R,5S)-6-((4-(trifluoromethyl)phenoxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-3H-imidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C21H21F3N4O
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| Molecular Weight |
402.42
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| Canonical SMILES |
Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2cccnc12
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| InChI |
InChI=1S/C21H21F3N4O/c1-27-19(26-18-3-2-8-25-20(18)27)11-28-9-15-16(10-28)17(15)12-29-14-6-4-13(5-7-14)21(22,23)24/h2-8,15-17H,9-12H2,1H3/t15-,16+,17?
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| InChIKey |
FFCOSPGDDQANBL-SJPCQFCGSA-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