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canSAR989033
FEATURES
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NAMES
    SMILES
    Cc1cccc(OC(C)C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)c1
    InChI
    InChI=1S/C25H36N2O4/c1-17-7-3-9-20(15-17)31-18(2)25(30)27-16-19-8-5-13-26-14-6-10-21(24(19)26)22(27)11-4-12-23(28)29/h3,7,9,15,18-19,21-22,24H,4-6,8,10-14,16H2,1-2H3,(H,28,29)/t18?,19-,21+,22+,24-/m0/s1
    MOLECULAR FORMULA
    C25H36N2O4
    CROSS REFERENCES
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    canSAR989033

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.27
    AlogP 3.72
    HBond donors 1
    HBond acceptors 6
    Atoms 67
    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 canSAR989033.