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canSAR2276800
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NAMES
    SMILES
    CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)NCC3CC3)cc2)o1
    InChI
    InChI=1S/C27H23N3O5/c1-16-23(26(32)30(29-16)21-10-8-20(9-11-21)27(33)34)14-22-12-13-24(35-22)18-4-6-19(7-5-18)25(31)28-15-17-2-3-17/h4-14,17H,2-3,15H2,1H3,(H,28,31)(H,33,34)/b23-14-
    MOLECULAR FORMULA
    C27H23N3O5
    CROSS REFERENCES
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    canSAR2276800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.16
    AlogP 4.59
    HBond donors 2
    HBond acceptors 8
    Atoms 58
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2276800.