General Information of the Compound
| Compound ID |
CP0178901
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| Compound Name |
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-yl)methanamine
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| Structure |
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| Formula |
C20H24BrClN2O
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| Molecular Weight |
423.782
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| Canonical SMILES |
NCC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C20H24BrClN2O/c21-18-3-6-20(25-14-16-1-4-19(22)5-2-16)17(11-18)13-24-9-7-15(12-23)8-10-24/h1-6,11,15H,7-10,12-14,23H2
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| InChIKey |
CZLPVTHTAMFNKP-UHFFFAOYSA-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