General Information of the Compound
| Compound ID |
CP0380253
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| Compound Name |
5-(5-Dimethylamino-naphthalene-1-sulfonylamino)-3-methyl-isoxazole-4-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C19H21N3O5S
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| Molecular Weight |
403.46
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| Canonical SMILES |
CCOC(=O)c1c(C)noc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C
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| InChI |
InChI=1S/C19H21N3O5S/c1-5-26-19(23)17-12(2)20-27-18(17)21-28(24,25)16-11-7-8-13-14(16)9-6-10-15(13)22(3)4/h6-11,21H,5H2,1-4H3
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| InChIKey |
IENNCXYZSDIKGA-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