General Information of the Compound
| Compound ID |
CP0399904
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| Compound Name |
3-(((1R,5S)-6-(phenoxymethyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)quinoline
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| Structure |
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| Formula |
C22H22N2O
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| Molecular Weight |
330.431
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| Canonical SMILES |
C(Oc1ccccc1)C1[C@@H]2CN(Cc3cnc4ccccc4c3)C[C@H]12
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| InChI |
InChI=1S/C22H22N2O/c1-2-7-18(8-3-1)25-15-21-19-13-24(14-20(19)21)12-16-10-17-6-4-5-9-22(17)23-11-16/h1-11,19-21H,12-15H2/t19-,20+,21?
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| InChIKey |
YDELNLPCFPCQQX-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