General Information of the Compound
| Compound ID |
CP0457923
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| Compound Name |
N,N-bis[(4-methylphenyl)sulfonylmethyl]hexan-1-amine
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| Synonyms |
AC1MWCYZ
CHEMBL252145
N,N-Bis(tosylmethyl)hexane-1-amine
N,N-bis(tosylmethyl)hexan-1-amine
N,N-bis[(4-methylphenyl)sulfonylmethyl]hexan-1-amine
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| Structure |
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| Formula |
C22H31NO4S2
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| Molecular Weight |
437.627
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| Canonical SMILES |
CCCCCCN(CS(=O)(=O)c1ccc(C)cc1)CS(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C22H31NO4S2/c1-4-5-6-7-16-23(17-28(24,25)21-12-8-19(2)9-13-21)18-29(26,27)22-14-10-20(3)11-15-22/h8-15H,4-7,16-18H2,1-3H3
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| InChIKey |
JNUXLFWPSMEIDT-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