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canSAR1967752
FEATURES
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NAMES
    SMILES
    NC1CCN(c2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)ccn2)CC1
    InChI
    InChI=1S/C29H27Cl2N5O2/c30-23-12-18(13-24(31)29(23)38)17-3-4-25-21(11-17)27(22(15-34-25)28(37)16-1-2-16)35-20-5-8-33-26(14-20)36-9-6-19(32)7-10-36/h3-5,8,11-16,19,38H,1-2,6-7,9-10,32H2,(H,33,34,35)
    MOLECULAR FORMULA
    C29H27Cl2N5O2
    CROSS REFERENCES
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    canSAR1967752

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.15
    AlogP 6.57
    HBond donors 4
    HBond acceptors 7
    Atoms 65
    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 canSAR1967752.