canSAR2167420
FEATURES
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NAMES
    SMILES
    N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3csc4ccccc34)CC2)C1
    InChI
    InChI=1S/C28H26N8OS/c29-9-8-28(36-14-19(13-33-36)25-22-5-10-30-26(22)32-18-31-25)16-35(17-28)20-6-11-34(12-7-20)27(37)23-15-38-24-4-2-1-3-21(23)24/h1-5,10,13-15,18,20H,6-8,11-12,16-17H2,(H,30,31,32)
    MOLECULAR FORMULA
    C28H26N8OS
    CROSS REFERENCES
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    canSAR2167420
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight522.20
    AlogP4.27
    HBond donors1
    HBond acceptors9
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2167420.