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canSAR1833618
FEATURES
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NAMES
    SMILES
    O=C1CC[C@@H](Nc2nc(N3CCOCC3)[nH]c(=O)c2-c2nc3ccccc3s2)CN1
    InChI
    InChI=1S/C20H22N6O3S/c27-15-6-5-12(11-21-15)22-17-16(19-23-13-3-1-2-4-14(13)30-19)18(28)25-20(24-17)26-7-9-29-10-8-26/h1-4,12H,5-11H2,(H,21,27)(H2,22,24,25,28)/t12-/m1/s1
    MOLECULAR FORMULA
    C20H22N6O3S
    CROSS REFERENCES
    1833618 logo

    canSAR1833618

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.15
    AlogP 1.57
    HBond donors 3
    HBond acceptors 9
    Atoms 52
    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 canSAR1833618.