General Information of the Compound
| Compound ID |
CP0338312
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| Compound Name |
(E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-N-(2-thenyl)but-2-enamide
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| Structure |
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| Formula |
C24H28N2O5S
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| Molecular Weight |
456.564
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| Canonical SMILES |
COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)c(O)c1
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| InChI |
InChI=1S/C24H28N2O5S/c1-31-18-9-10-20(22(28)14-18)21(27)11-12-24(30)26(15-19-8-5-13-32-19)16-23(29)25-17-6-3-2-4-7-17/h5,8-14,17,28H,2-4,6-7,15-16H2,1H3,(H,25,29)/b12-11+
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| InChIKey |
GMGQPJXAWKHBEW-VAWYXSNFSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06033, Microphthalmia-associated transcription factor