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canSAR1146877
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)n5cncn5)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21
    InChI
    InChI=1S/C29H33N5O2/c1-28-13-11-20(36-27(35)34-17-30-16-32-34)15-19(28)7-8-21-22-9-10-26(29(22,2)14-12-23(21)28)33-18-31-24-5-3-4-6-25(24)33/h3-7,10,16-18,20-23H,8-9,11-15H2,1-2H3/t20-,21-,22-,23-,28-,29-/m0/s1
    MOLECULAR FORMULA
    C29H33N5O2
    CROSS REFERENCES
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    canSAR1146877

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.26
    AlogP 6.09
    HBond donors 0
    HBond acceptors 7
    Atoms 69
    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 canSAR1146877.