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canSAR985732
FEATURES
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NAMES
    SMILES
    C[C@@H](NCCCCCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCCCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C35H66N4/c1-27(38-24-12-8-4-6-10-22-36)31-16-17-32-30-15-14-28-26-29(39-25-13-9-5-7-11-23-37)18-20-34(28,2)33(30)19-21-35(31,32)3/h26-27,29-33,38-39H,4-25,36-37H2,1-3H3/t27-,29+,30+,31-,32+,33+,34+,35-/m1/s1
    MOLECULAR FORMULA
    C35H66N4
    CROSS REFERENCES
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    canSAR985732

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.53
    AlogP 7.32
    HBond donors 6
    HBond acceptors 4
    Atoms 105
    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 canSAR985732.