General Information of the Compound
| Compound ID |
CP0390941
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| Compound Name |
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C17H17Cl3F3N3OS
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| Molecular Weight |
474.763
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| Canonical SMILES |
COC[C@@H]1CCCN1Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
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| InChI |
InChI=1S/C17H17Cl3F3N3OS/c1-27-8-10-3-2-4-26(10)7-13-15(17(21,22)23)25-16(28-13)24-14-11(19)5-9(18)6-12(14)20/h5-6,10H,2-4,7-8H2,1H3,(H,24,25)/t10-/m0/s1
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| InChIKey |
WGIVTUOTGVLTQN-JTQLQIEISA-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