General Information of the Compound
| Compound ID |
CP0349042
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| Compound Name |
[5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
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| Structure |
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| Formula |
C18H18N2O2S2
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| Molecular Weight |
358.488
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| Canonical SMILES |
CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1
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| InChI |
InChI=1S/C18H18N2O2S2/c1-2-13-8-15(14-6-4-3-5-7-14)10-16(9-13)24(21,22)18-12-20-17(11-19)23-18/h3-10,12H,2,11,19H2,1H3
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| InChIKey |
MRABWNRNUTUZGB-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: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05466, Lysyl oxidase homolog 3
Protein ID: PT02562, Membrane primary amine oxidase
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2