General Information of the Compound
Compound ID |
CP0463674
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Compound Name |
2-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-1-ylamino]-propionic acid ethyl ester
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Structure |
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Formula |
C20H23N3O5S
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Molecular Weight |
417.487
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Canonical SMILES |
CCOC(=O)C(C)Nc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
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InChI |
InChI=1S/C20H23N3O5S/c1-5-27-20(24)14(4)21-17-10-6-9-16-15(17)8-7-11-18(16)29(25,26)23-19-12(2)13(3)22-28-19/h6-11,14,21,23H,5H2,1-4H3
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InChIKey |
SYHPKSOBMUGCEF-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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