XL 888

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 14
Total Number of Articles : 9
PubChem 121595951
Molecular Formula

C29H37N5O3

SMILES

CCC(C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)N

InChI

InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)

synonyms
  • 1149705-71-4
  • XL888
  • XL 888
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Properties
Property Value
MW 503.6 g/mol
HBD 3
HBA 6
Rotatable Bond Count 9
Exact Mass 503.28964006 g/mol
Monoisotopic Mass 503.28964006 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 849
xlogp 4.7
Topological Polar Surface Area 117