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canSAR562524
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)COc2ccc(C(=O)O)cc21)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NCCCn1ccnc1.Cl.O
    InChI
    InChI=1S/C44H59N7O9.ClH.H2O/c1-29(2)22-34(42(56)48-33(23-30-10-5-3-6-11-30)37(52)26-40(54)46-17-9-19-50-21-18-45-28-50)49-43(57)35(24-31-12-7-4-8-13-31)47-39(53)16-20-51-36-25-32(44(58)59)14-15-38(36)60-27-41(51)55;;/h4,7-8,12-15,18,21,25,28-30,33-35,37,52H,3,5-6,9-11,16-17,19-20,22-24,26-27H2,1-2H3,(H,46,54)(H,47,53)(H,48,56)(H,49,57)(H,58,59);1H;1H2
    MOLECULAR FORMULA
    C44H62ClN7O10
    CROSS REFERENCES
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    canSAR562524

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 883.42
    AlogP 2.96
    HBond donors 8
    HBond acceptors 17
    Atoms 124
    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 canSAR562524.