General Information of the Compound
| Compound ID |
CP0550909
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| Compound Name |
(5-{[Benzyl-(2,2,2-trifluoro-ethyl)-amino]-methyl}-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
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| Structure |
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| Formula |
C20H14Cl3F6N3S
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| Molecular Weight |
548.767
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| Canonical SMILES |
FC(F)(F)CN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1
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| InChI |
InChI=1S/C20H14Cl3F6N3S/c21-12-6-13(22)16(14(23)7-12)30-18-31-17(20(27,28)29)15(33-18)9-32(10-19(24,25)26)8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,30,31)
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| InChIKey |
NNTKTHTYJQMKEV-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