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canSAR1060002
FEATURES
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NAMES
    SMILES
    O=C(NC[C@H]1CCCO1)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1
    InChI
    InChI=1S/C30H35N3O3/c34-29(31-17-25-2-1-9-35-25)22-3-8-26-27(13-22)33-28(32-26)18-36-24-6-4-23(5-7-24)30-14-19-10-20(15-30)12-21(11-19)16-30/h3-8,13,19-21,25H,1-2,9-12,14-18H2,(H,31,34)(H,32,33)/t19?,20?,21?,25-,30?/m1/s1
    MOLECULAR FORMULA
    C30H35N3O3
    CROSS REFERENCES
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    canSAR1060002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.27
    AlogP 5.52
    HBond donors 2
    HBond acceptors 6
    Atoms 71
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1060002.