General Information of the Compound
| Compound ID |
CP0432836
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| Compound Name |
Aplysamine-1
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| Synonyms |
3-(2,6-Dibromo-4-(2-(dimethylamino)ethyl)phenoxy)-N,N-dimethyl-1-propanamine
3-(2,6-dibromo-4-(2-(dimethylamino)ethyl)phenoxy)-N,N-dimethylpropan-1-amine
3-[2,6-dibromo-4-(2-dimethylaminoethyl)phenoxy]-N,N-dimethyl-propan-1-amine
3-[2,6-dibromo-4-(2-dimethylaminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
AC1L7JVE
AC1Q25RU
APLYSAMINE
Aplysamine-1
BDBM50177729
CHEMBL380697
N-(3-(2,6-Dibromo-4-(2-(dimethylamino)ethyl)phenoxy)propyl)-N,N-dimethylamine
NSC-625525
NSC625525
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| Structure |
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| Formula |
C15H24Br2N2O
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| Molecular Weight |
408.178
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| Canonical SMILES |
CN(C)CCCOc1c(Br)cc(CCN(C)C)cc1Br
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| InChI |
InChI=1S/C15H24Br2N2O/c1-18(2)7-5-9-20-15-13(16)10-12(11-14(15)17)6-8-19(3)4/h10-11H,5-9H2,1-4H3
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| InChIKey |
LWENJEAGCYZOBC-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
Clinical Information about the Compound