General Information of the Compound
| Compound ID |
CP0531957
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| Compound Name |
3-[2-[(2-methoxyphenyl)sulfonylamino]-5-methylphenoxy]benzenecarboximidamide
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| Structure |
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| Formula |
C21H21N3O4S
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| Molecular Weight |
411.483
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| Canonical SMILES |
COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cccc(c1)C(N)=N
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| InChI |
InChI=1S/C21H21N3O4S/c1-14-10-11-17(24-29(25,26)20-9-4-3-8-18(20)27-2)19(12-14)28-16-7-5-6-15(13-16)21(22)23/h3-13,24H,1-2H3,(H3,22,23)
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| InChIKey |
DNQMIYXBYHTHMW-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