General Information of the Compound
| Compound ID |
CP0528271
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| Compound Name |
[5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
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| Structure |
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| Formula |
C17H16N2O4S3
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| Molecular Weight |
408.526
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| Canonical SMILES |
CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1ccccc1
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| InChI |
InChI=1S/C17H16N2O4S3/c1-25(20,21)14-7-13(12-5-3-2-4-6-12)8-15(9-14)26(22,23)17-11-19-16(10-18)24-17/h2-9,11H,10,18H2,1H3
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| InChIKey |
HQPYHGXLGJSYMM-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