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canSAR985469
FEATURES
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NAMES
    SMILES
    CSCCCNC(=S)NCCNC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C37H61N3O3S2/c1-32(2)27-10-13-37(7)29(35(27,5)12-11-28(32)42)26(41)22-24-25-23-34(4,15-14-33(25,3)16-17-36(24,37)6)30(43)38-19-20-40-31(44)39-18-9-21-45-8/h22,25,27-29,42H,9-21,23H2,1-8H3,(H,38,43)(H2,39,40,44)/t25-,27-,28-,29+,33+,34-,35-,36+,37+/m0/s1
    MOLECULAR FORMULA
    C37H61N3O3S2
    CROSS REFERENCES
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    canSAR985469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 659.42
    AlogP 6.66
    HBond donors 4
    HBond acceptors 6
    Atoms 106
    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 canSAR985469.