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canSAR829867
FEATURES
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NAMES
    SMILES
    C[C@H](CCCNCCCNCCCN)[C@H]1CC[C@H]2C3[C@H](C[C@H](OCCCN)[C@@]21C)[C@@]1(C)CC[C@@H](OCCCN)CC1C[C@H]3OCCCN
    InChI
    InChI=1S/C39H78N6O3/c1-29(10-4-19-44-21-9-22-45-20-5-15-40)32-11-12-33-37-34(28-36(39(32,33)3)48-25-8-18-43)38(2)14-13-31(46-23-6-16-41)26-30(38)27-35(37)47-24-7-17-42/h29-37,44-45H,4-28,40-43H2,1-3H3/t29-,30?,31-,32-,33+,34+,35-,36+,37?,38+,39-/m1/s1
    MOLECULAR FORMULA
    C39H78N6O3
    CROSS REFERENCES
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    canSAR829867

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 678.61
    AlogP 4.40
    HBond donors 10
    HBond acceptors 9
    Atoms 126
    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 canSAR829867.