General Information of the Compound
| Compound ID |
CP0486865
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| Compound Name |
(5-{[(4-Chloro-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 |
C21H15Cl4F6N3S
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| Molecular Weight |
597.239
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| Canonical SMILES |
FC(F)(F)CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H15Cl4F6N3S/c22-12-3-1-11(2-4-12)9-34(6-5-20(26,27)28)10-16-18(21(29,30)31)33-19(35-16)32-17-14(24)7-13(23)8-15(17)25/h1-4,7-8H,5-6,9-10H2,(H,32,33)
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| InChIKey |
RMZZLRZAUNSNLY-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