General Information of the Compound
| Compound ID |
CP0520919
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| Compound Name |
4-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-1-ylamino]-butyric acid
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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 |
Cc1noc(NS(=O)(=O)c2cccc3c(NCCCC(O)=O)cccc23)c1C
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| InChI |
InChI=1S/C19H21N3O5S/c1-12-13(2)21-27-19(12)22-28(25,26)17-9-4-6-14-15(17)7-3-8-16(14)20-11-5-10-18(23)24/h3-4,6-9,20,22H,5,10-11H2,1-2H3,(H,23,24)
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| InChIKey |
FCVNIXAIYYEZTL-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