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canSAR1864389
FEATURES
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NAMES
    SMILES
    NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1
    InChI
    InChI=1S/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/m0/s1
    MOLECULAR FORMULA
    C31H45N5O
    CROSS REFERENCES
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    canSAR1864389

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.36
    AlogP 5.58
    HBond donors 2
    HBond acceptors 6
    Atoms 82
    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 canSAR1864389.