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canSAR101240
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NAMES
    SMILES
    S=c1[nH]c2cccc(OCCN3CCN(c4cccc5[nH]cnc45)CC3)c2[nH]1
    InChI
    InChI=1S/C20H22N6OS/c28-20-23-15-4-2-6-17(19(15)24-20)27-12-11-25-7-9-26(10-8-25)16-5-1-3-14-18(16)22-13-21-14/h1-6,13H,7-12H2,(H,21,22)(H2,23,24,28)
    MOLECULAR FORMULA
    C20H22N6OS
    CROSS REFERENCES
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    canSAR101240

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.16
    AlogP 3.30
    HBond donors 3
    HBond acceptors 7
    Atoms 50
    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 canSAR101240.