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canSAR1085692
FEATURES
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NAMES
    SMILES
    CC1CN(c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN[C@H](C)c3ccccc3)cc2)CCN1
    InChI
    InChI=1S/C30H38N4O2/c1-22-21-34(18-17-31-22)27-15-13-26(14-16-27)30(36)33-28(19-24-9-5-3-6-10-24)29(35)20-32-23(2)25-11-7-4-8-12-25/h3-16,22-23,28-29,31-32,35H,17-21H2,1-2H3,(H,33,36)/t22?,23-,28+,29-/m1/s1
    MOLECULAR FORMULA
    C30H38N4O2
    CROSS REFERENCES
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    canSAR1085692

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.30
    AlogP 3.54
    HBond donors 4
    HBond acceptors 6
    Atoms 74
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1085692.