General Information of the Compound
| Compound ID |
CP0060423
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| Compound Name |
(E)-N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-N-(3-methylbutyl)-4-oxobut-2-enamide
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| Structure |
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| Formula |
C30H39FN2O6
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| Molecular Weight |
542.648
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(N(CCC(C)C)C(=O)\C=C\C(=O)c1ccc(F)cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C30H39FN2O6/c1-19(2)15-16-33(26(35)14-13-23(34)20-9-11-22(31)12-10-20)27(29(36)32-30(3,4)5)21-17-24(37-6)28(39-8)25(18-21)38-7/h9-14,17-19,27H,15-16H2,1-8H3,(H,32,36)/b14-13+
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| InChIKey |
JUDLAZMMKWRKDD-BUHFOSPRSA-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