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canSAR1591939
FEATURES
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NAMES
    SMILES
    CCCN=C(S)N1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1
    InChI
    InChI=1S/C18H26N4S/c1-4-7-19-18(23)22-8-5-14(6-9-22)17-20-15-10-12(2)13(3)11-16(15)21-17/h10-11,14H,4-9H2,1-3H3,(H,19,23)(H,20,21)
    MOLECULAR FORMULA
    C18H26N4S
    CROSS REFERENCES
    1591939 logo

    canSAR1591939

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 330.19
    AlogP 4.05
    HBond donors 1
    HBond acceptors 4
    Atoms 49
    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 canSAR1591939.