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canSAR552559
FEATURES
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NAMES
    SMILES
    CCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCN(C)CC1
    InChI
    InChI=1S/C31H42ClN5O2/c1-3-31(12-14-35(2)15-13-31)37-18-16-36(17-19-37)30(39)28(20-23-8-10-25(32)11-9-23)34-29(38)21-27-26-7-5-4-6-24(26)22-33-27/h4-11,27-28,33H,3,12-22H2,1-2H3,(H,34,38)/t27?,28-/m1/s1
    MOLECULAR FORMULA
    C31H42ClN5O2
    CROSS REFERENCES
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    canSAR552559

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.30
    AlogP 3.62
    HBond donors 2
    HBond acceptors 7
    Atoms 81
    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 canSAR552559.