General Information of the Compound
| Compound ID |
CP0369467
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| Compound Name |
(E)-N-[2-(tert-butylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropyl-4-(4-methylphenyl)-4-oxobut-2-enamide
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| Structure |
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| Formula |
C28H34N2O5
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| Molecular Weight |
478.589
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| Canonical SMILES |
COc1ccc(cc1OC)C(N(C1CC1)C(=O)\C=C\C(=O)c1ccc(C)cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C28H34N2O5/c1-18-7-9-19(10-8-18)22(31)14-16-25(32)30(21-12-13-21)26(27(33)29-28(2,3)4)20-11-15-23(34-5)24(17-20)35-6/h7-11,14-17,21,26H,12-13H2,1-6H3,(H,29,33)/b16-14+
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| InChIKey |
GTENTLZUYBDEIB-JQIJEIRASA-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