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canSAR1149075
FEATURES
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NAMES
    SMILES
    C1=C2CCN3Cc4cc5c(cc4[C@H]([C@H](OCc4cccnc4)[C@H]1OCc1cccnc1)[C@@H]23)OCO5
    InChI
    InChI=1S/C28H27N3O4/c1-3-18(12-29-6-1)15-32-25-9-20-5-8-31-14-21-10-23-24(35-17-34-23)11-22(21)26(27(20)31)28(25)33-16-19-4-2-7-30-13-19/h1-4,6-7,9-13,25-28H,5,8,14-17H2/t25-,26-,27+,28+/m0/s1
    MOLECULAR FORMULA
    C28H27N3O4
    CROSS REFERENCES
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    canSAR1149075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.20
    AlogP 3.99
    HBond donors 0
    HBond acceptors 7
    Atoms 62
    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 canSAR1149075.