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canSAR1104781
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NAMES
    SMILES
    Cc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc2cc(C(=O)c3ccc(C#N)cc3)oc12
    InChI
    InChI=1S/C34H23N3O2/c1-20-14-23(15-24-16-31(39-34(20)24)33(38)22-12-10-21(17-35)11-13-22)32(27-18-36-29-8-4-2-6-25(27)29)28-19-37-30-9-5-3-7-26(28)30/h2-16,18-19,32,36-37H,1H3
    MOLECULAR FORMULA
    C34H23N3O2
    CROSS REFERENCES
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    canSAR1104781

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.18
    AlogP 7.99
    HBond donors 2
    HBond acceptors 5
    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 canSAR1104781.