General Information of the Compound
| Compound ID |
CP0101584
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| Compound Name |
5-[2-(3,5-Diisopropyl-2-propoxy-phenyl)-cyclopent-1-enyl]-3-methyl-penta-2,4-dienoic acid
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| Structure |
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| Formula |
C26H36O3
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| Molecular Weight |
396.571
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| Canonical SMILES |
CCCOc1c(cc(cc1C1=C(CCC1)\C=C\C(\C)=C\C(O)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C26H36O3/c1-7-13-29-26-23(18(4)5)15-21(17(2)3)16-24(26)22-10-8-9-20(22)12-11-19(6)14-25(27)28/h11-12,14-18H,7-10,13H2,1-6H3,(H,27,28)/b12-11+,19-14+
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| InChIKey |
AEXZEXFZLVOUCR-OTIKAVQOSA-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