KRM 1648

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 7
PubChem 135431094
Molecular Formula

C51H64N4O13

SMILES

C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C([C@](O5)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)N7CCN(CC7)CC(C)C)O3)/C

InChI

InChI=1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,58-60,62H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1

synonyms
  • Rifalazil
  • Benzoxazinorifamycin
  • 129791-92-0
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Properties
Property Value
MW 941.1 g/mol
HBD 5
HBA 16
Rotatable Bond Count 6
Exact Mass 940.44698811 g/mol
Monoisotopic Mass 940.44698811 g/mol
Heavy Atom Count 68
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 2510
xlogp 3.3
Topological Polar Surface Area 226