canSAR2060738
FEATURES
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NAMES
    SMILES
    Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCC(O)CC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1
    InChI
    InChI=1S/C29H29N7OS/c1-18(33-28-14-26(34-19(2)35-28)22-6-7-25-27(13-22)38-17-32-25)20-4-3-5-21(12-20)23-15-30-29(31-16-23)36-10-8-24(37)9-11-36/h3-7,12-18,24,37H,8-11H2,1-2H3,(H,33,34,35)/t18-/m0/s1
    MOLECULAR FORMULA
    C29H29N7OS
    CROSS REFERENCES
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    canSAR2060738
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight523.22
    AlogP5.65
    HBond donors2
    HBond acceptors8
    Atoms67
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2060738.