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canSAR163724
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NAMES
    SMILES
    CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3cc(Br)cs3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O
    InChI
    InChI=1S/C32H47BrN4O6S2/c1-21(2)29-28(11-14-45(29,41)42)43-31(40)34-25(15-22-9-7-6-8-10-22)27(38)19-37-13-12-36(17-24-16-23(33)20-44-24)18-26(37)30(39)35-32(3,4)5/h6-10,16,20-21,25-29,38H,11-15,17-19H2,1-5H3,(H,34,40)(H,35,39)/t25-,26-,27+,28+,29+/m0/s1
    MOLECULAR FORMULA
    C32H47BrN4O6S2
    CROSS REFERENCES
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    canSAR163724

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 726.21
    AlogP 3.82
    HBond donors 3
    HBond acceptors 10
    Atoms 92
    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 canSAR163724.