General Information of the Compound
| Compound ID |
CP0503029
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| Compound Name |
5-(Isopropyl-methyl-amino)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C19H23N3O3S
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| Molecular Weight |
373.478
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| Canonical SMILES |
CC(C)N(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C19H23N3O3S/c1-12(2)22(5)17-10-6-9-16-15(17)8-7-11-18(16)26(23,24)21-19-13(3)14(4)20-25-19/h6-12,21H,1-5H3
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| InChIKey |
DXCOFYZOPGIJTO-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