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canSAR1024479
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NAMES
    SMILES
    COC1=C2CC[C@H]3[C@@H]4CC[C@@](O)(Cc5ccccn5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
    InChI
    InChI=1S/C26H35NO3/c1-24-12-11-22(28)23(30-3)21(24)8-7-18-19(24)9-13-25(2)20(18)10-14-26(25,29)16-17-6-4-5-15-27-17/h4-6,15,18-20,29H,7-14,16H2,1-3H3/t18-,19+,20+,24-,25+,26-/m1/s1
    MOLECULAR FORMULA
    C26H35NO3
    CROSS REFERENCES
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    canSAR1024479

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.26
    AlogP 4.86
    HBond donors 1
    HBond acceptors 4
    Atoms 65
    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 canSAR1024479.