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canSAR1014220
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NAMES
    SMILES
    COC(=O)[C@]12Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)N1[C@@H]1c3c(ccc4ccccc34)OC[C@@H]1C2
    InChI
    InChI=1S/C34H30N2O4/c1-38-23-14-11-21(12-15-23)32-30-26(25-9-5-6-10-27(25)35-30)18-34(33(37)39-2)17-22-19-40-28-16-13-20-7-3-4-8-24(20)29(28)31(22)36(32)34/h3-16,22,31-32,35H,17-19H2,1-2H3/t22-,31-,32+,34-/m0/s1
    MOLECULAR FORMULA
    C34H30N2O4
    CROSS REFERENCES
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    canSAR1014220

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.22
    AlogP 6.34
    HBond donors 1
    HBond acceptors 6
    Atoms 70
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1014220.