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canSAR463211
FEATURES
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NAMES
    SMILES
    CCN(CC)C(=O)C(C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2Cc3ccccc3N2)CC1
    InChI
    InChI=1S/C35H48ClN5O3/c1-3-39(4-2)35(44)33(26-10-6-5-7-11-26)40-18-20-41(21-19-40)34(43)31(22-25-14-16-28(36)17-15-25)38-32(42)24-29-23-27-12-8-9-13-30(27)37-29/h8-9,12-17,26,29,31,33,37H,3-7,10-11,18-24H2,1-2H3,(H,38,42)/t29?,31-,33?/m1/s1
    MOLECULAR FORMULA
    C35H48ClN5O3
    CROSS REFERENCES
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    canSAR463211

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 621.34
    AlogP 4.76
    HBond donors 2
    HBond acceptors 8
    Atoms 92
    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 canSAR463211.