General Information of the Compound
| Compound ID |
CP0474118
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| Compound Name |
N'-ethyl-4,4-dimethyl-N-[[2-(trifluoromethyl)-1H-indol-5-yl]sulfonyl]-3H-pyrazole-2-carboximidamide
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| Structure |
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| Formula |
C17H20F3N5O2S
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| Molecular Weight |
415.441
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| Canonical SMILES |
CCN\C(=N/S(=O)(=O)c1ccc2[nH]c(cc2c1)C(F)(F)F)N1CC(C)(C)C=N1
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| InChI |
InChI=1S/C17H20F3N5O2S/c1-4-21-15(25-10-16(2,3)9-22-25)24-28(26,27)12-5-6-13-11(7-12)8-14(23-13)17(18,19)20/h5-9,23H,4,10H2,1-3H3,(H,21,24)
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| InChIKey |
DJJDUYJZKRGQQO-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