General Information of the Compound
| Compound ID |
CP0497045
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| Compound Name |
(5-{[Phenethyl-(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 |
C22H18Cl3F6N3S
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| Molecular Weight |
576.821
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| Canonical SMILES |
FC(F)(F)CCN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
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| InChI |
InChI=1S/C22H18Cl3F6N3S/c23-14-10-15(24)18(16(25)11-14)32-20-33-19(22(29,30)31)17(35-20)12-34(9-7-21(26,27)28)8-6-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,32,33)
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| InChIKey |
DJBNVTCUMQWCCW-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