Type : Pyrrolidine, Carboxamide
Chemical_Nomenclature : N-(3,3-diphenylpropyl)pyrrole-1-carboxamide
Canonical SMILES : C1=CC=C(C=C1)C(CCNC(=O)N2C=CC=C2)C3=CC=CC=C3
InChI : InChI=1S\/C20H20N2O\/c23-20(22-15-7-8-16-22)21-14-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18\/h1-12,15-16,19H,13-14H2,(H,21,23)
InChIKey : HEHFNRQOOMVVBY-UHFFFAOYSA-N
Other name(s) : Compound 4 || Q27456468 || 6N8
MW : 304.4
Formula : C20H20N2O
CAS_number :
PubChem : 91754973
UniChem : HEHFNRQOOMVVBY-UHFFFAOYSA-N
Families : N-(3,3-diphenylpropyl)pyrrolidine-1-carboxamide ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
Title : Exploring serial crystallography for drug discovery - Dunge_2024_IUCrJ__ |
Author(s) : Dunge A , Phan C , Uwangue O , Bjelcic M , Gunnarsson J , Wehlander G , Kack H , Branden G |
Ref : IUCrJ , : , 2024 |
Abstract : |
PubMedSearch : Dunge_2024_IUCrJ__ |
PubMedID: 39072424 |
Title : Successful generation of structural information for fragment-based drug discovery - Oster_2015_Drug.Discov.Today_20_1104 |
Author(s) : Oster L , Tapani S , Xue Y , Kack H |
Ref : Drug Discov Today , 20 :1104 , 2015 |
Abstract : |
PubMedSearch : Oster_2015_Drug.Discov.Today_20_1104 |
PubMedID: 25931264 |
Gene_locus related to this paper: human-EPHX2 |