A-1210477

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 15
Total Number of Articles : 21
PubChem 66575373
Molecular Formula

C46H55N7O7S

SMILES

CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)

synonyms
  • A-1210477
  • 1668553-26-1
  • 7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
Click to show/hide the synonyms
Properties
Property Value
MW 850.0 g/mol
HBD 1
HBA 12
Rotatable Bond Count 16
Exact Mass 849.38836829 g/mol
Monoisotopic Mass 849.38836829 g/mol
Heavy Atom Count 61
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1500
xlogp 3.6
Topological Polar Surface Area 143