Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

125293 - Overview - Compound Synopsis

Synonyms
16Beta-(M-Carbamoylbenzyl)EstradiolE2B
Molecular Formula
C26H31NO3
InChI
InChI=1S/C26H31NO3/c1-26-10-9-21-20-8-6-19(28)13-16(20)5-7-22(21)23(26)14-18(24(26)29)12-15-3-2-4-17(11-15)25(27)30/h2-4,6,8,11,13,18,21-24,28-29H,5,7,9-10,12,14H2,1H3,(H2,27,30)/t18-,21+,22+,23-,24-,26-/m0/s1
Smiles
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O
Cross References
UniChem78597
canSAR125293
PDBe (Protein Data Bank Europe)E2B
ChEMBLCHEMBL410242
BindingDB50373700
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 405.2303938524.17694461No


Compounds with the same scaffold


Image of compound ID: 125293
Murko Scaffold Family: 5 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12