General Information of the Compound
| Compound ID |
CP0394835
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| Compound Name |
4-Cyano-5-(2-ethyl-butyrylamino)-3-methyl-thiophene-2-carboxylic acid (2,4-dichloro-benzyl)-isopropyl-amide
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| Structure |
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| Formula |
C23H27Cl2N3O2S
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| Molecular Weight |
480.461
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| Canonical SMILES |
CCC(CC)C(=O)Nc1sc(C(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C)c(C)c1C#N
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| InChI |
InChI=1S/C23H27Cl2N3O2S/c1-6-15(7-2)21(29)27-22-18(11-26)14(5)20(31-22)23(30)28(13(3)4)12-16-8-9-17(24)10-19(16)25/h8-10,13,15H,6-7,12H2,1-5H3,(H,27,29)
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| InChIKey |
SKAHOANFYMJREK-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