canSAR2096307
FEATURES
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NAMES
    SMILES
    Cc1nc(NC(C)c2cccc(-c3cnc(NCCN(C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1
    InChI
    InChI=1S/C28H30N8S/c1-18(20-6-5-7-21(12-20)23-15-30-28(31-16-23)29-10-11-36(3)4)33-27-14-25(34-19(2)35-27)22-8-9-24-26(13-22)37-17-32-24/h5-9,12-18H,10-11H2,1-4H3,(H,29,30,31)(H,33,34,35)
    MOLECULAR FORMULA
    C28H30N8S
    CROSS REFERENCES
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    canSAR2096307
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight510.23
    AlogP5.67
    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 canSAR2096307.