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canSAR785631
FEATURES
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NAMES
    SMILES
    O=C(CN(c1nc(Cl)nc2c1ncn2C1CCCCO1)C1CC1)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
    InChI
    InChI=1S/C33H35ClN6O6/c34-33-37-30(29-31(38-33)40(21-35-29)27-13-7-8-16-44-27)39(24-14-15-24)18-26(41)36-25(32(43)46-20-23-11-5-2-6-12-23)17-28(42)45-19-22-9-3-1-4-10-22/h1-6,9-12,21,24-25,27H,7-8,13-20H2,(H,36,41)/t25-,27?/m0/s1
    MOLECULAR FORMULA
    C33H35ClN6O6
    CROSS REFERENCES
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    canSAR785631

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 646.23
    AlogP 4.51
    HBond donors 1
    HBond acceptors 12
    Atoms 81
    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 canSAR785631.