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canSAR561536
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NAMES
    SMILES
    NC1CCC(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
    InChI
    InChI=1S/C37H44N4O3/c38-30-20-22-31(23-21-30)39-35(43)32-18-10-25-41(32)36(44)33-19-11-24-40(33)34(42)26-37(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-9,12-17,30-33H,10-11,18-26,38H2,(H,39,43)/t30?,31?,32-,33+/m1/s1
    MOLECULAR FORMULA
    C37H44N4O3
    CROSS REFERENCES
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    canSAR561536

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.34
    AlogP 4.78
    HBond donors 3
    HBond acceptors 7
    Atoms 88
    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 canSAR561536.