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canSAR1065994
FEATURES
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NAMES
    SMILES
    O=C(O)COCC(=O)NC1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
    InChI
    InChI=1S/C24H30N2O7/c27-16-4-3-14-9-17-24(31)6-5-15(25-18(28)11-32-12-19(29)30)22-23(24,20(14)21(16)33-22)7-8-26(17)10-13-1-2-13/h3-4,13,15,17,22,27,31H,1-2,5-12H2,(H,25,28)(H,29,30)/t15?,17-,22+,23+,24-/m1/s1
    MOLECULAR FORMULA
    C24H30N2O7
    CROSS REFERENCES
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    canSAR1065994

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.21
    AlogP 0.54
    HBond donors 4
    HBond acceptors 9
    Atoms 63
    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 canSAR1065994.