canSAR734335
FEATURES
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NAMES
    SMILES
    CCN1CCN(c2nc(N3CCN(CC)CC3)nc(N3[C@H](C(=O)OC)Cc4c([nH]c5ccccc45)[C@H]3c3ccc(OC)cc3)n2)CC1
    InChI
    InChI=1S/C35H45N9O3/c1-5-40-15-19-42(20-16-40)33-37-34(43-21-17-41(6-2)18-22-43)39-35(38-33)44-29(32(45)47-4)23-27-26-9-7-8-10-28(26)36-30(27)31(44)24-11-13-25(46-3)14-12-24/h7-14,29,31,36H,5-6,15-23H2,1-4H3/t29-,31+/m0/s1
    MOLECULAR FORMULA
    C35H45N9O3
    CROSS REFERENCES
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    canSAR734335
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight639.36
    AlogP3.34
    HBond donors1
    HBond acceptors12
    Atoms92
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR734335.