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canSAR990522
FEATURES
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NAMES
    SMILES
    CN(C)CCCNC(=O)N1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21
    InChI
    InChI=1S/C25H33N5O2/c1-28(2)10-6-9-26-25(32)30-16-18(24(31)29-11-3-4-12-29)13-20-19-7-5-8-21-23(19)17(15-27-21)14-22(20)30/h5,7-8,13,15,18,22,27H,3-4,6,9-12,14,16H2,1-2H3,(H,26,32)/t18-,22-/m1/s1
    MOLECULAR FORMULA
    C25H33N5O2
    CROSS REFERENCES
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    canSAR990522

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.26
    AlogP 2.69
    HBond donors 2
    HBond acceptors 7
    Atoms 65
    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 canSAR990522.