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canSAR466822
FEATURES
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NAMES
    SMILES
    O=C1N(CC2CC2)[C@H](Cc2ccc3c(c2)OCCO3)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1CC1CC1
    InChI
    InChI=1S/C31H38N2O7/c34-29-23(13-21-5-7-25-27(15-21)39-11-9-37-25)32(17-19-1-2-19)31(36)33(18-20-3-4-20)24(30(29)35)14-22-6-8-26-28(16-22)40-12-10-38-26/h5-8,15-16,19-20,23-24,29-30,34-35H,1-4,9-14,17-18H2/t23-,24-,29+,30+/m1/s1
    MOLECULAR FORMULA
    C31H38N2O7
    CROSS REFERENCES
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    canSAR466822

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.27
    AlogP 3.03
    HBond donors 2
    HBond acceptors 9
    Atoms 78
    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 canSAR466822.