XR-9576
FEATURES
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NAMES
  • XR-9576
SMILES
COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)Nc3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2
InChI
InChI=1S/C38H39N5O6/c1-46-33-18-25-14-16-43(23-28(25)19-34(33)47-2)15-13-24-9-11-29(12-10-24)40-38(45)42-32-21-36(49-4)35(48-3)20-31(32)41-37(44)27-17-26-7-5-6-8-30(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,41,44)(H2,40,42,45)
MOLECULAR FORMULA
C38H39N5O6
CROSS REFERENCES
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XR-9576
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight661.29
AlogP6.77
HBond donors3
HBond acceptors11
Atoms88
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by XR-9576.