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canSAR1155216
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NAMES
    SMILES
    O=C1CS[C@@H](c2ccccc2)N1c1ccc(CCc2ccc(N3C(=O)CS[C@H]3c3ccccc3)cc2)cc1
    InChI
    InChI=1S/C32H28N2O2S2/c35-29-21-37-31(25-7-3-1-4-8-25)33(29)27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)34-30(36)22-38-32(34)26-9-5-2-6-10-26/h1-10,13-20,31-32H,11-12,21-22H2/t31-,32-/m0/s1
    MOLECULAR FORMULA
    C32H28N2O2S2
    CROSS REFERENCES
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    canSAR1155216

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.16
    AlogP 7.03
    HBond donors 0
    HBond acceptors 4
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1155216.