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canSAR563460
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2ccc(OCCCCCCCN)cc2c1CCCCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O
    InChI
    InChI=1S/C45H70N6O7/c1-5-31(4)40(43(54)50-39(45(56)57)27-30(2)3)51-42(53)38(28-32-18-20-33(52)21-19-32)49-44(55)41-35(17-13-9-6-7-10-14-24-46)36-29-34(22-23-37(36)48-41)58-26-16-12-8-11-15-25-47/h18-23,29-31,38-40,48,52H,5-17,24-28,46-47H2,1-4H3,(H,49,55)(H,50,54)(H,51,53)(H,56,57)/t31-,38-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C45H70N6O7
    CROSS REFERENCES
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    canSAR563460

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 806.53
    AlogP 6.49
    HBond donors 10
    HBond acceptors 13
    Atoms 128
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR563460.