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canSAR1124018
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NAMES
    SMILES
    CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](CO)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1
    InChI
    InChI=1S/C31H30N6O2S/c1-19(2)25-14-13-24-29(35-25)33-18-34-30(24)36-26-16-21(8-15-28(26)40-23-11-9-22(32)10-12-23)31(39)37-27(17-38)20-6-4-3-5-7-20/h3-16,18-19,27,38H,17,32H2,1-2H3,(H,37,39)(H,33,34,35,36)/t27-/m1/s1
    MOLECULAR FORMULA
    C31H30N6O2S
    CROSS REFERENCES
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    canSAR1124018

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.22
    AlogP 6.09
    HBond donors 5
    HBond acceptors 8
    Atoms 70
    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 canSAR1124018.