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canSAR654706
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
    InChI
    InChI=1S/C45H57N11O7/c46-38(57)28-54-23-22-49-39(58)19-9-10-20-41(60)56(27-32-14-5-2-6-15-32)30-42(61)55(26-31-12-3-1-4-13-31)29-40(59)52-36(18-11-21-50-45(47)48)43(62)53-37(44(54)63)24-33-25-51-35-17-8-7-16-34(33)35/h1-8,12-17,25,36-37,51H,9-11,18-24,26-30H2,(H2,46,57)(H,49,58)(H,52,59)(H,53,62)(H4,47,48,50)/t36-,37-/m0/s1
    MOLECULAR FORMULA
    C45H57N11O7
    CROSS REFERENCES
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    canSAR654706

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 863.44
    AlogP 1.00
    HBond donors 10
    HBond acceptors 18
    Atoms 120
    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 canSAR654706.