General Information of the Compound
| Compound ID |
CP0172645
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| Compound Name |
2-(benzylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
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| Structure |
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| Formula |
C14H18N2OS
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| Molecular Weight |
262.378
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| Canonical SMILES |
CC(C)C1(C)SC(NCc2ccccc2)=NC1=O
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| InChI |
InChI=1S/C14H18N2OS/c1-10(2)14(3)12(17)16-13(18-14)15-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,16,17)
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| InChIKey |
IUURRDZAZOQTCE-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