General Information of the Compound
| Compound ID |
CP0148805
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| Compound Name |
(2E)-2-cyano-N-[(3-{[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]methyl}cyclohexyl)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C28H28N4O6
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| Molecular Weight |
516.554
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| Canonical SMILES |
Oc1ccc(\C=C(/C#N)C(=O)NCC2CCCC(CNC(=O)C(=C\c3ccc(O)c(O)c3)\C#N)C2)cc1O
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| InChI |
InChI=1S/C28H28N4O6/c29-13-21(9-17-4-6-23(33)25(35)11-17)27(37)31-15-19-2-1-3-20(8-19)16-32-28(38)22(14-30)10-18-5-7-24(34)26(36)12-18/h4-7,9-12,19-20,33-36H,1-3,8,15-16H2,(H,31,37)(H,32,38)/b21-9+,22-10+
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| InChIKey |
YESNFWRNMLAXJB-VGENTYGXSA-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