Bioactive Compound Details

BioIDbio199093
NameNone
ChEMBL IDCHEMBL521351
Molecular FormulaC33H56O4
Molecular Weight516.81
Molecular Weight (Monoisotopic)516.4179
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Ethyldecyl 2-Ethylundecyl Phthalate
SmilesCCCCCCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCCCCC
InchiInChI=1S/C33H56O4/c1-5-9-11-13-15-17-19-23-29(8-4)27-37-33(35)31-25-21-20-24-30(31)32(34)36-26-28(7-3)22-18-16-14-12-10-6-2/h20-21,24-25,28-29H,5-19,22-23,26-27H2,1-4H3
Inchi KeyNGQVOKWWBHQUJB-UHFFFAOYSA-N
Molecular SpeciesNone
Targets1.0
Bioactivities2.0
Np Likeness Score0.15
Records Key['2']
Records Name['2-ethyldecyl 2-ethylundecyl phthalate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure