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canSAR1768577
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NAMES
    SMILES
    O=C(c1ccc2[nH]cnc2c1)N1CCCC2c3ccc(-c4ccccc4)cc3CC[C@@H]21
    InChI
    InChI=1S/C27H25N3O/c31-27(21-9-12-24-25(16-21)29-17-28-24)30-14-4-7-23-22-11-8-19(18-5-2-1-3-6-18)15-20(22)10-13-26(23)30/h1-3,5-6,8-9,11-12,15-17,23,26H,4,7,10,13-14H2,(H,28,29)/t23?,26-/m0/s1
    MOLECULAR FORMULA
    C27H25N3O
    CROSS REFERENCES
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    canSAR1768577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.20
    AlogP 5.56
    HBond donors 1
    HBond acceptors 4
    Atoms 56
    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 canSAR1768577.