canSAR87008
FEATURES
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NAMES
    SMILES
    Cc1cc2cc(NC(=N/[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)/C(C#N)=C(\O)OCCCCO)ccc2o1
    InChI
    InChI=1S/C29H37N5O6/c1-20-16-21-17-22(9-10-25(21)40-20)31-27(23(18-30)29(38)39-15-7-6-14-35)32-24-8-2-3-13-34(28(24)37)19-26(36)33-11-4-5-12-33/h9-10,16-17,24,35,38H,2-8,11-15,19H2,1H3,(H,31,32)/b29-23+/t24-/m0/s1
    MOLECULAR FORMULA
    C29H37N5O6
    CROSS REFERENCES
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    canSAR87008
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight551.27
    AlogP3.64
    HBond donors3
    HBond acceptors11
    Atoms77
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR87008.