canSAR638064
FEATURES
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NAMES
    SMILES
    c1ccc(C2=Nn3c(CCCCCCCCc4nnc5n4N=C(c4ccccc4)CS5)nnc3SC2)cc1
    InChI
    InChI=1S/C28H30N8S2/c1(3-11-17-25-29-31-27-35(25)33-23(19-37-27)21-13-7-5-8-14-21)2-4-12-18-26-30-32-28-36(26)34-24(20-38-28)22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2
    MOLECULAR FORMULA
    C28H30N8S2
    CROSS REFERENCES
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    canSAR638064
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight542.20
    AlogP5.71
    HBond donors0
    HBond acceptors8
    Atoms68
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR638064.