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canSAR656917
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
    InChI
    InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-40(59)55(26-30-13-5-2-6-14-30)28-39(58)51-35(23-29-11-3-1-4-12-29)42(61)52-34(17-10-20-49-44(46)47)41(60)53-36(43(54)62)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49)/t34-,35+,36-/m0/s1
    MOLECULAR FORMULA
    C44H55N11O7
    CROSS REFERENCES
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    canSAR656917

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 849.43
    AlogP 0.31
    HBond donors 11
    HBond acceptors 18
    Atoms 117
    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 canSAR656917.