General Information of the Compound
| Compound ID |
CP0436476
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| Compound Name |
(5-{[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 |
C21H16Cl3F6N3S
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| Molecular Weight |
562.794
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| Canonical SMILES |
FC(F)(F)CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1
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| InChI |
InChI=1S/C21H16Cl3F6N3S/c22-13-8-14(23)17(15(24)9-13)31-19-32-18(21(28,29)30)16(34-19)11-33(7-6-20(25,26)27)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2,(H,31,32)
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| InChIKey |
KRYGUKXOSONLGA-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