General Information of the Compound
| Compound ID |
CP0489747
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| Compound Name |
[2-[(4-hydroxy-3-methoxyphenyl)methylamino]-2-oxoethyl] (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoate
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| Structure |
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| Formula |
C37H55NO5
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| Molecular Weight |
593.849
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| Canonical SMILES |
COc1cc(CNC(=O)COC(=O)CC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)ccc1O
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| InChI |
InChI=1S/C37H55NO5/c1-28(2)13-10-16-31(5)19-11-17-29(3)14-8-9-15-30(4)18-12-20-32(6)21-24-37(41)43-27-36(40)38-26-33-22-23-34(39)35(25-33)42-7/h13-15,19-20,22-23,25,39H,8-12,16-18,21,24,26-27H2,1-7H3,(H,38,40)/b29-14+,30-15+,31-19+,32-20+
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| InChIKey |
RHESPEAOTLRLIY-PGXWDBRMSA-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