General Information of the Compound
| Compound ID |
CP0431528
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| Compound Name |
(5-{[Cyclopropylmethyl-(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 |
C18H16Cl3F6N3S
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| Molecular Weight |
526.761
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| Canonical SMILES |
FC(F)(F)CCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
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| InChI |
InChI=1S/C18H16Cl3F6N3S/c19-10-5-11(20)14(12(21)6-10)28-16-29-15(18(25,26)27)13(31-16)8-30(7-9-1-2-9)4-3-17(22,23)24/h5-6,9H,1-4,7-8H2,(H,28,29)
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| InChIKey |
LMGOZBQKWJMHAG-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