1524459 logo
canSAR1524459
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCN1C(C)=C(C(=O)OC)C(c2ccccc2)N2C(=O)[C@]3(C(=O)OC)O[C@@]12C1C(=O)N(c2ccccc2)C(=O)C13
    InChI
    InChI=1S/C29H27N3O8/c1-5-30-16(2)19(25(35)38-3)22(17-12-8-6-9-13-17)32-26(36)28(27(37)39-4)20-21(29(30,32)40-28)24(34)31(23(20)33)18-14-10-7-11-15-18/h6-15,20-22H,5H2,1-4H3/t20?,21?,22?,28-,29+/m1/s1
    MOLECULAR FORMULA
    C29H27N3O8
    CROSS REFERENCES
    1524459 logo

    canSAR1524459

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.18
    AlogP 1.75
    HBond donors 0
    HBond acceptors 11
    Atoms 67
    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 canSAR1524459.