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canSAR1154512
FEATURES
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NAMES
    SMILES
    C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCO)C3=O
    InChI
    InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15-17(21(16)31-25)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19-,20+,24-,25+/m0/s1
    MOLECULAR FORMULA
    C25H35NO5
    CROSS REFERENCES
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    canSAR1154512

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.25
    AlogP 3.25
    HBond donors 3
    HBond acceptors 6
    Atoms 66
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1154512.