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canSAR1130450
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NAMES
    SMILES
    Cc1ccc(Cn2nc(/C=C/[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1
    InChI
    InChI=1S/C30H35ClN2/c1-20-6-8-22(9-7-20)19-33-27(23-10-12-26(31)21(2)16-23)17-25(32-33)11-13-28-29(3,4)24-14-15-30(28,5)18-24/h6-13,16-17,24,28H,14-15,18-19H2,1-5H3/b13-11+/t24-,28-,30+/m1/s1
    MOLECULAR FORMULA
    C30H35ClN2
    CROSS REFERENCES
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    canSAR1130450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.25
    AlogP 8.34
    HBond donors 0
    HBond acceptors 2
    Atoms 68
    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 canSAR1130450.