General Information of the Compound
| Compound ID |
CP0353719
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| Compound Name |
4,4,4-trifluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butan-2-amine
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| Structure |
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| Formula |
C14H15F3N2S
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| Molecular Weight |
300.349
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| Canonical SMILES |
CC(CC(F)(F)F)NCc1ccc(cc1)-c1nccs1
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| InChI |
InChI=1S/C14H15F3N2S/c1-10(8-14(15,16)17)19-9-11-2-4-12(5-3-11)13-18-6-7-20-13/h2-7,10,19H,8-9H2,1H3
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| InChIKey |
CQHNEOVZWXSOML-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