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2098546-05-3

2098546-05-3 | EBI-2511

CAS No: 2098546-05-3 Catalog No: AG01FHJL MDL No:

Product Description

Catalog Number:
AG01FHJL
Chemical Name:
EBI-2511
CAS Number:
2098546-05-3
Molecular Formula:
C34H48N4O4
Molecular Weight:
576.7693
IUPAC Name:
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-4-carboxamide
InChI:
InChI=1S/C34H48N4O4/c1-7-26-29(38(8-2)25-11-15-41-16-12-25)19-31-27(18-30(42-31)24-9-13-37(14-10-24)21(3)4)32(26)34(40)35-20-28-22(5)17-23(6)36-33(28)39/h17-19,21,24-25H,7-16,20H2,1-6H3,(H,35,40)(H,36,39)
InChI Key:
NYWVSLBALKNFJR-UHFFFAOYSA-N
SMILES:
CCN(c1cc2oc(cc2c(c1CC)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCN(CC1)C(C)C)C1CCOCC1

Properties

Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.368g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
576.782g/mol
Monoisotopic Mass:
576.368g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

Literature

Title Journal
Discovery of EBI-2511: A Highly Potent and Orally Active EZH2 Inhibitor for the Treatment of Non-Hodgkin's Lymphoma. ACS medicinal chemistry letters 20180208

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