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canSAR101317
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NAMES
    SMILES
    CCOC(=O)[C@@]12CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O
    InChI
    InChI=1S/C32H48O5/c1-9-37-27(36)32-17-16-30(7)19(24(32)23(18(2)3)25(34)26(32)35)10-11-21-29(6)14-13-22(33)28(4,5)20(29)12-15-31(21,30)8/h18-22,33H,9-17H2,1-8H3/t19?,20?,21?,22-,29-,30+,31+,32-/m0/s1
    MOLECULAR FORMULA
    C32H48O5
    CROSS REFERENCES
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    canSAR101317

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.35
    AlogP 6.07
    HBond donors 1
    HBond acceptors 5
    Atoms 85
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR101317.