General Information of the Compound
| Compound ID |
CP0496618
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| Compound Name |
8-Dimethylamino-naphthalene-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C17H19N3O3S
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| Molecular Weight |
345.424
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| Canonical SMILES |
CN(C)c1cccc2ccc(cc12)S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)14-9-8-13-6-5-7-16(20(3)4)15(13)10-14/h5-10,19H,1-4H3
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| InChIKey |
CDAANMFWIWNGIT-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