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canSAR785126
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NAMES
    SMILES
    N=C(N)N(CCCCCCNCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)CCSSCCN(CCCCCCNCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=N)N
    InChI
    InChI=1S/C40H74N8S2/c41-37(42)47(11-7-3-1-5-9-45-29-39-23-31-17-32(24-39)19-33(18-31)25-39)13-15-49-50-16-14-48(38(43)44)12-8-4-2-6-10-46-30-40-26-34-20-35(27-40)22-36(21-34)28-40/h31-36,45-46H,1-30H2,(H3,41,42)(H3,43,44)/t31-,32+,33-,34-,35+,36-,39?,40?
    MOLECULAR FORMULA
    C40H74N8S2
    CROSS REFERENCES
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    canSAR785126

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 730.55
    AlogP 7.49
    HBond donors 8
    HBond acceptors 8
    Atoms 124
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR785126.