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canSAR1615314
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1ccccc1Cl)Nc1ccc(Br)c(OCCN2CCC(O)(c3ccccc3)CC2)c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C28H28BrClN2O3.C2H2O4/c29-24-12-11-23(31-27(33)13-10-21-6-4-5-9-25(21)30)20-26(24)35-19-18-32-16-14-28(34,15-17-32)22-7-2-1-3-8-22;3-1(4)2(5)6/h1-13,20,34H,14-19H2,(H,31,33);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C30H30BrClN2O7
    CROSS REFERENCES
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    canSAR1615314

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 644.09
    AlogP 5.27
    HBond donors 4
    HBond acceptors 9
    Atoms 71
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1615314.