General Information of the Compound
| Compound ID |
CP0049397
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| Compound Name |
N-(4-chloro-3-fluorophenyl)-N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)oxamide
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| Structure |
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| Formula |
C20H20ClFN4O2S
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| Molecular Weight |
434.924
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| Canonical SMILES |
CC1(C)Cc2c(C#N)c(NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)sc2C(C)(C)N1
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| InChI |
InChI=1S/C20H20ClFN4O2S/c1-19(2)8-11-12(9-23)18(29-15(11)20(3,4)26-19)25-17(28)16(27)24-10-5-6-13(21)14(22)7-10/h5-7,26H,8H2,1-4H3,(H,24,27)(H,25,28)
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| InChIKey |
ILULMWLBQRSXST-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