General Information of the Compound
| Compound ID |
CP0450932
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| Compound Name |
diheptan-3-yl 5-(hydroxymethyl)benzene-1,3-dicarboxylate
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| Synonyms |
CHEMBL494361
Diheptan-3-yl 5-(hydroxymethyl)isophthalate
SCHEMBL13625629
diheptan-3-yl 5-(hydroxymethyl)isophthalate
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| Structure |
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| Formula |
C23H36O5
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| Molecular Weight |
392.536
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| Canonical SMILES |
CCCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCCC
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| InChI |
InChI=1S/C23H36O5/c1-5-9-11-20(7-3)27-22(25)18-13-17(16-24)14-19(15-18)23(26)28-21(8-4)12-10-6-2/h13-15,20-21,24H,5-12,16H2,1-4H3
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| InChIKey |
ZBGSOGNHNSNOLN-UHFFFAOYSA-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
Protein ID: PT00858, Protein kinase C alpha type
Protein ID: PT01364, Protein kinase C delta type
Clinical Information about the Compound