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canSAR561919
FEATURES
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NAMES
    SMILES
    C[C@H](O)CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1.Cl
    InChI
    InChI=1S/C31H40N4O3.ClH/c1-21(36)19-33-30(2,3)29(38)34-27(18-23-20-32-26-11-7-5-9-24(23)26)28(37)35-16-14-31(15-17-35)13-12-22-8-4-6-10-25(22)31;/h4-11,20-21,27,32-33,36H,12-19H2,1-3H3,(H,34,38);1H/t21-,27+;/m0./s1
    MOLECULAR FORMULA
    C31H41ClN4O3
    CROSS REFERENCES
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    canSAR561919

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 552.29
    AlogP 3.87
    HBond donors 4
    HBond acceptors 7
    Atoms 80
    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 canSAR561919.