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canSAR912839
FEATURES
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NAMES
    SMILES
    CCCCCC(=O)N[C@H](C(=O)NCCCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21)C(C)CC
    InChI
    InChI=1S/C41H68N2O4/c1-5-7-15-19-37(46)43-39(29(3)6-2)40(47)42-26-17-14-12-10-8-9-11-13-16-18-30-27-31-28-32(44)20-21-33(31)34-24-25-41(4)35(38(30)34)22-23-36(41)45/h20-21,28-30,34-36,38-39,44-45H,5-19,22-27H2,1-4H3,(H,42,47)(H,43,46)/t29?,30-,34-,35+,36+,38-,39+,41+/m1/s1
    MOLECULAR FORMULA
    C41H68N2O4
    CROSS REFERENCES
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    canSAR912839

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 652.52
    AlogP 8.96
    HBond donors 4
    HBond acceptors 6
    Atoms 115
    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 canSAR912839.