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canSAR832809
FEATURES
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NAMES
    SMILES
    CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCN)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C29H52N2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h19-21,23-27,31H,6-18,30H2,1-5H3/t21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
    MOLECULAR FORMULA
    C29H52N2
    CROSS REFERENCES
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    canSAR832809

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.41
    AlogP 6.94
    HBond donors 3
    HBond acceptors 2
    Atoms 83
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR832809.