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canSAR2088740
FEATURES
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NAMES
    SMILES
    Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN2CCCC2)C32CC2)cn1.Cl
    InChI
    InChI=1S/C25H34N4O2.ClH/c1-17-6-7-18(16-27-17)28-24(31)22-20-9-8-19(25(20)10-11-25)21(22)23(30)26-12-2-3-13-29-14-4-5-15-29;/h6-9,16,19-22H,2-5,10-15H2,1H3,(H,26,30)(H,28,31);1H/t19-,20+,21-,22-;/m1./s1
    MOLECULAR FORMULA
    C25H35ClN4O2
    CROSS REFERENCES
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    canSAR2088740

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.24
    AlogP 3.57
    HBond donors 2
    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 canSAR2088740.