General Information of the Compound
| Compound ID |
CP0409244
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| Compound Name |
(5-{[Cyclopropylmethyl-(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 |
C17H14Cl3F6N3S
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| Molecular Weight |
512.734
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| Canonical SMILES |
FC(F)(F)CN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
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| InChI |
InChI=1S/C17H14Cl3F6N3S/c18-9-3-10(19)13(11(20)4-9)27-15-28-14(17(24,25)26)12(30-15)6-29(5-8-1-2-8)7-16(21,22)23/h3-4,8H,1-2,5-7H2,(H,27,28)
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| InChIKey |
ZQHMCESGMBJNKW-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