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canSAR790190
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NAMES
    SMILES
    CC1CCCC23CCN(C=C4CCC4)C(Cc4ccc(O)cc42)[C@H]13
    InChI
    InChI=1S/C22H29NO/c1-15-4-3-9-22-10-11-23(14-16-5-2-6-16)20(21(15)22)12-17-7-8-18(24)13-19(17)22/h7-8,13-15,20-21,24H,2-6,9-12H2,1H3/t15?,20?,21-,22?/m0/s1
    MOLECULAR FORMULA
    C22H29NO
    CROSS REFERENCES
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    canSAR790190

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 323.22
    AlogP 4.76
    HBond donors 1
    HBond acceptors 2
    Atoms 53
    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 canSAR790190.