General Information of the Compound
| Compound ID |
CP0439960
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| Compound Name |
[5-[3-(4-methylphenyl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
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| Structure |
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| Formula |
C18H18N2O4S3
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| Molecular Weight |
422.553
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)S(C)(=O)=O
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| InChI |
InChI=1S/C18H18N2O4S3/c1-12-3-5-13(6-4-12)14-7-15(26(2,21)22)9-16(8-14)27(23,24)18-11-20-17(10-19)25-18/h3-9,11H,10,19H2,1-2H3
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| InChIKey |
UNBAKKOHLRSDAN-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: PT02562, Membrane primary amine oxidase
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2