General Information of the Compound
| Compound ID |
CP0520031
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| Compound Name |
2-(((1R,5S)-6-((3-chlorophenoxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-1-methyl-1H-imidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C20H21ClN4O
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| Molecular Weight |
368.868
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| Canonical SMILES |
Cn1c(CN2C[C@H]3C(COc4cccc(Cl)c4)[C@H]3C2)nc2ncccc12
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| InChI |
InChI=1S/C20H21ClN4O/c1-24-18-6-3-7-22-20(18)23-19(24)11-25-9-15-16(10-25)17(15)12-26-14-5-2-4-13(21)8-14/h2-8,15-17H,9-12H2,1H3/t15-,16+,17?
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| InChIKey |
GOWBAICYKZUMDP-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