General Information of the Compound
| Compound ID |
CP0409652
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| Compound Name |
(5-{[(4-Fluoro-benzyl)-(3,3,3-trifluoro-propyl)-amino]-methyl}-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
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| Structure |
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| Formula |
C21H15Cl3F7N3S
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| Molecular Weight |
580.784
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| Canonical SMILES |
Fc1ccc(CN(CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H15Cl3F7N3S/c22-12-7-14(23)17(15(24)8-12)32-19-33-18(21(29,30)31)16(35-19)10-34(6-5-20(26,27)28)9-11-1-3-13(25)4-2-11/h1-4,7-8H,5-6,9-10H2,(H,32,33)
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| InChIKey |
JEZSLGOJAUKXMK-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