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canSAR848152
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NAMES
    SMILES
    O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21
    InChI
    InChI=1S/C27H35N3OS/c31-26(14-15-29-16-18-30(19-17-29)22-9-2-1-3-10-22)28-27-23-11-5-4-8-21(23)20-32-25-13-7-6-12-24(25)27/h1-3,6-7,9-10,12-13,21,23,27H,4-5,8,11,14-20H2,(H,28,31)/t21-,23+,27+/m0/s1
    MOLECULAR FORMULA
    C27H35N3OS
    CROSS REFERENCES
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    canSAR848152

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.25
    AlogP 4.97
    HBond donors 1
    HBond acceptors 4
    Atoms 67
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR848152.