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canSAR466901
FEATURES
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NAMES
    SMILES
    CN1C[C@@H](c2ccccc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13
    InChI
    InChI=1S/C33H26N2O2/c1-35-19-26(20-9-3-2-4-10-20)32(18-17-23-22-13-5-6-16-27(22)34-29(23)31(32)37)33(35)25-15-8-12-21-11-7-14-24(28(21)25)30(33)36/h2-16,26,34H,17-19H2,1H3/t26-,32+,33-/m0/s1
    MOLECULAR FORMULA
    C33H26N2O2
    CROSS REFERENCES
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    canSAR466901

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.20
    AlogP 6.26
    HBond donors 1
    HBond acceptors 4
    Atoms 63
    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 canSAR466901.