BIIE 0246

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 28
Total Number of Articles : 59
PubChem 9811493
Molecular Formula

C49H57N11O6

SMILES

C1CCC(C1)(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68

InChI

InChI=1S/C49H57N11O6/c50-46(51)53-25-13-22-40(45(64)52-26-27-58-47(65)59(34-14-3-1-4-15-34)60(48(58)66)35-16-5-2-6-17-35)54-41(61)32-49(23-11-12-24-49)33-42(62)56-28-30-57(31-29-56)43-36-18-7-8-19-37(36)44(63)55-39-21-10-9-20-38(39)43/h1-10,14-21,40,43H,11-13,22-33H2,(H,52,64)(H,54,61)(H,55,63)(H4,50,51,53)/t40-,43?/m0/s1

synonyms
  • BIIE-0246
  • BIIE 0246
  • 246146-55-4
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Properties
Property Value
MW 896.0 g/mol
HBD 5
HBA 8
Rotatable Bond Count 16
Exact Mass 895.44932858 g/mol
Monoisotopic Mass 895.44932858 g/mol
Heavy Atom Count 66
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 1710
xlogp 3.8
Topological Polar Surface Area 219