General Information of the Compound
| Compound ID |
CP0491085
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| Compound Name |
dihexan-3-yl 5-(hydroxymethyl)benzene-1,3-dicarboxylate
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| Synonyms |
CHEMBL523053
Dihexan-3-yl 5-(hydroxymethyl)isophthalate
SCHEMBL13625642
dihexan-3-yl 5-(hydroxymethyl)isophthalate
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| Structure |
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| Formula |
C21H32O5
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| Molecular Weight |
364.482
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| Canonical SMILES |
CCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCC
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| InChI |
InChI=1S/C21H32O5/c1-5-9-18(7-3)25-20(23)16-11-15(14-22)12-17(13-16)21(24)26-19(8-4)10-6-2/h11-13,18-19,22H,5-10,14H2,1-4H3
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| InChIKey |
ONMFJTSDBZIFTK-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