Home Other Building Blocks p53 and MDM2 proteins-interaction-inhibitor chiral

p53 and MDM2 proteins-interaction-inhibitor chiral

CAS No.:
939981-37-0
Catalog Number:
AG00GU58
Molecular Formula:
C40H49Cl2N5O4
Molecular Weight:
734.7542
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Product Description
Catalog Number:
AG00GU58
Chemical Name:
p53 and MDM2 proteins-interaction-inhibitor chiral
CAS Number:
939981-37-0
Molecular Formula:
C40H49Cl2N5O4
Molecular Weight:
734.7542
MDL Number:
MFCD14584417
IUPAC Name:
2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
InChI:
InChI=1S/C40H49Cl2N5O4/c1-7-51-34-26-30(38(2,3)4)12-17-33(34)36-43-39(5,28-8-13-31(41)14-9-28)40(6,29-10-15-32(42)16-11-29)47(36)37(49)46-20-18-44(19-21-46)27-35(48)45-22-24-50-25-23-45/h8-17,26H,7,18-25,27H2,1-6H3/t39-,40+/m0/s1
InChI Key:
DJZBZZRLUQDRII-IOLBBIBUSA-N
SMILES:
CCOc1cc(ccc1C1=N[C@@]([C@@](N1C(=O)N1CCN(CC1)CC(=O)N1CCOCC1)(C)c1ccc(cc1)Cl)(C)c1ccc(cc1)Cl)C(C)(C)C
Properties
Complexity:
1230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
733.316g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
734.763g/mol
Monoisotopic Mass:
733.316g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7  
Literature
Title Journal
Discovery of RG7112: A Small-Molecule MDM2 Inhibitor in Clinical Development. ACS medicinal chemistry letters 20130509
Properties