General Information of the Compound
| Compound ID |
CP0551408
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| Compound Name |
(2E,4E)-5-(4-Hydroxy-3-methoxy-phenyl)-penta-2,4-dienoic acid [2-(4-benzhydryloxy-piperidin-1-yl)-ethyl]-amide
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| Structure |
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| Formula |
C32H36N2O4
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| Molecular Weight |
512.65
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| Canonical SMILES |
COc1cc(\C=C\C=C\C(=O)NCCN2CCC(CC2)OC(c2ccccc2)c2ccccc2)ccc1O
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| InChI |
InChI=1S/C32H36N2O4/c1-37-30-24-25(16-17-29(30)35)10-8-9-15-31(36)33-20-23-34-21-18-28(19-22-34)38-32(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-17,24,28,32,35H,18-23H2,1H3,(H,33,36)/b10-8+,15-9+
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| InChIKey |
JQBGXQUXDFQQNI-BPNXTJCCSA-N
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| CAS |
101619-11-8
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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