General Information of the Compound
| Compound ID |
CP0430576
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| Compound Name |
5-(2-Oxo-piperidin-1-yl)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C20H21N3O4S
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| Molecular Weight |
399.472
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)N2CCCCC2=O)c1C
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| InChI |
InChI=1S/C20H21N3O4S/c1-13-14(2)21-27-20(13)22-28(25,26)18-10-6-7-15-16(18)8-5-9-17(15)23-12-4-3-11-19(23)24/h5-10,22H,3-4,11-12H2,1-2H3
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| InChIKey |
VCRURAWAYQUHMS-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