General Information of the Compound
| Compound ID |
CP0436891
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| Compound Name |
5-Dimethylamino-naphthalene-1-sulfonic acid (4-benzyl-3-methyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C23H23N3O3S
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| Molecular Weight |
421.522
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| Canonical SMILES |
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1Cc1ccccc1
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| InChI |
InChI=1S/C23H23N3O3S/c1-16-20(15-17-9-5-4-6-10-17)23(29-24-16)25-30(27,28)22-14-8-11-18-19(22)12-7-13-21(18)26(2)3/h4-14,25H,15H2,1-3H3
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| InChIKey |
WCXVUWWNSLEHKN-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