General Information of the Compound
| Compound ID |
CP0768841
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| Compound Name |
(E)-2-Cyano-N-{(S)-2-[(E)-2-cyano-3-(3,4-dihydroxy-phenyl)-acryloylamino]-cyclohexyl}-3-(3,4-dihydroxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C26H24N4O6
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| Molecular Weight |
488.5
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| Canonical SMILES |
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NC1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C26H24N4O6/c27-13-17(9-15-5-7-21(31)23(33)11-15)25(35)29-19-3-1-2-4-20(19)30-26(36)18(14-28)10-16-6-8-22(32)24(34)12-16/h5-12,19-20,31-34H,1-4H2,(H,29,35)(H,30,36)/b17-9+,18-10+/t19-,20?/m0/s1
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| InChIKey |
LLQAFRKQJAOAMO-ZRKWYAOLSA-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