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canSAR1505162
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NAMES
    SMILES
    CCc1ncnc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
    InChI
    InChI=1S/C31H29ClN6O/c1-2-28-26(11-8-22-9-13-29(33)34-19-22)30(36-21-35-28)24-10-12-25(27(32)18-24)31(39)38-16-14-37(15-17-38)20-23-6-4-3-5-7-23/h3-7,9-10,12-13,18-19,21H,2,14-17,20H2,1H3,(H2,33,34)
    MOLECULAR FORMULA
    C31H29ClN6O
    CROSS REFERENCES
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    canSAR1505162

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.21
    AlogP 4.69
    HBond donors 2
    HBond acceptors 7
    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 canSAR1505162.