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canSAR1441293
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NAMES
    SMILES
    O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCCN1CCOCC1
    InChI
    InChI=1S/C22H27N5O2S/c28-21(23-8-11-25-12-14-29-15-13-25)18-30-17-19-16-24-27(20-6-2-1-3-7-20)22(19)26-9-4-5-10-26/h1-7,9-10,16H,8,11-15,17-18H2,(H,23,28)
    MOLECULAR FORMULA
    C22H27N5O2S
    CROSS REFERENCES
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    canSAR1441293

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.19
    AlogP 2.34
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1441293.