General Information of the Compound
| Compound ID |
CP0072939
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| Compound Name |
N-[3-(benzylmethylamino)propyl]-4-bromobenzamide
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| Structure |
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| Formula |
C18H21BrN2O
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| Molecular Weight |
361.283
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| Canonical SMILES |
CN(CCCNC(=O)c1ccc(Br)cc1)Cc1ccccc1
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| InChI |
InChI=1S/C18H21BrN2O/c1-21(14-15-6-3-2-4-7-15)13-5-12-20-18(22)16-8-10-17(19)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
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| InChIKey |
WWEAHUHMEHELLH-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
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1