General Information of the Compound
| Compound ID |
CP0503374
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| Compound Name |
5-Ethylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C17H19N3O3S
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| Molecular Weight |
345.424
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| Canonical SMILES |
CCNc1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C17H19N3O3S/c1-4-18-15-9-5-8-14-13(15)7-6-10-16(14)24(21,22)20-17-11(2)12(3)19-23-17/h5-10,18,20H,4H2,1-3H3
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| InChIKey |
JTFNUFGDWSUVCP-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