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canSAR1127432
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cccc(CN4CCN(c5ccc(Cl)cc5)CC4)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
    InChI
    InChI=1S/C33H43ClN2O5/c1-22-7-12-29-23(2)30(38-31-33(29)28(22)13-14-32(3,39-31)40-41-33)37-21-25-6-4-5-24(19-25)20-35-15-17-36(18-16-35)27-10-8-26(34)9-11-27/h4-6,8-11,19,22-23,28-31H,7,12-18,20-21H2,1-3H3/t22-,23-,28+,29+,30+,31-,32+,33-/m1/s1
    MOLECULAR FORMULA
    C33H43ClN2O5
    CROSS REFERENCES
    1127432 logo

    canSAR1127432

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.29
    AlogP 6.39
    HBond donors 0
    HBond acceptors 7
    Atoms 84
    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 canSAR1127432.