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canSAR1012967
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NAMES
    SMILES
    O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2cc(Cl)ccc2N1Cc1ccccc1
    InChI
    InChI=1S/C31H24ClN3O/c32-24-15-16-29-26(18-24)30(22-11-5-2-6-12-22)34-28(17-23-19-33-27-14-8-7-13-25(23)27)31(36)35(29)20-21-9-3-1-4-10-21/h1-16,18-19,28,33H,17,20H2/t28-/m1/s1
    MOLECULAR FORMULA
    C31H24ClN3O
    CROSS REFERENCES
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    canSAR1012967

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.16
    AlogP 6.82
    HBond donors 1
    HBond acceptors 4
    Atoms 60
    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 canSAR1012967.