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canSAR546060
FEATURES
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NAMES
    SMILES
    C[C@]12CCC3c4ccc(O)cc4CCC3C1CC(CO)(CCCCCCNCCc1ccccn1)[C@@H]2O
    InChI
    InChI=1S/C32H46N2O3/c1-31-16-13-27-26-12-10-25(36)20-23(26)9-11-28(27)29(31)21-32(22-35,30(31)37)15-5-2-3-6-17-33-19-14-24-8-4-7-18-34-24/h4,7-8,10,12,18,20,27-30,33,35-37H,2-3,5-6,9,11,13-17,19,21-22H2,1H3/t27?,28?,29?,30-,31+,32?/m1/s1
    MOLECULAR FORMULA
    C32H46N2O3
    CROSS REFERENCES
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    canSAR546060

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.35
    AlogP 5.38
    HBond donors 4
    HBond acceptors 5
    Atoms 83
    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 canSAR546060.