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canSAR1969075
FEATURES
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NAMES
    SMILES
    COC12CC[C@@]3(C[C@@H]1CNC(=O)CCC(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
    InChI
    InChI=1S/C28H36N2O6/c1-35-28-9-8-26(13-18(28)14-29-21(32)6-7-22(33)34)20-12-17-4-5-19(31)24-23(17)27(26,25(28)36-24)10-11-30(20)15-16-2-3-16/h4-5,16,18,20,25,31H,2-3,6-15H2,1H3,(H,29,32)(H,33,34)/t18-,20-,25-,26-,27+,28?/m1/s1
    MOLECULAR FORMULA
    C28H36N2O6
    CROSS REFERENCES
    1969075 logo

    canSAR1969075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.26
    AlogP 2.60
    HBond donors 3
    HBond acceptors 8
    Atoms 72
    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 canSAR1969075.