General Information of the Compound
| Compound ID |
CP0538458
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| Compound Name |
4-(2,2-dimethylpropyl)-N-naphthalen-1-yl-1,3-thiazol-2-amine
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| Synonyms |
CHEMBL424689
N-(naphthalen-1-yl)-4-neopentylthiazol-2-amine
SCHEMBL14433281
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| Structure |
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| Formula |
C18H20N2S
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| Molecular Weight |
296.439
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| Canonical SMILES |
CC(C)(C)Cc1csc(Nc2cccc3ccccc23)n1
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| InChI |
InChI=1S/C18H20N2S/c1-18(2,3)11-14-12-21-17(19-14)20-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,12H,11H2,1-3H3,(H,19,20)
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| InChIKey |
RIPVNQXJGQJLHV-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
Clinical Information about the Compound