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canSAR1066013
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NAMES
    SMILES
    C#CCOC(=O)CC1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3ccc(NCC)cc3)cc21
    InChI
    InChI=1S/C26H24N2O5/c1-4-13-31-23(29)16-21-20-15-18(17-7-10-19(11-8-17)28-6-3)9-12-22(20)33-25(27)24(21)26(30)32-14-5-2/h1-2,7-12,15,21,28H,6,13-14,16,27H2,3H3
    MOLECULAR FORMULA
    C26H24N2O5
    CROSS REFERENCES
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    canSAR1066013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.17
    AlogP 3.17
    HBond donors 3
    HBond acceptors 7
    Atoms 57
    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 canSAR1066013.