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canSAR353615
FEATURES
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NAMES
    SMILES
    C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
    InChI
    InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
    MOLECULAR FORMULA
    C18H27ClN4OS
    CROSS REFERENCES
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    canSAR353615

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.16
    AlogP 3.61
    HBond donors 2
    HBond acceptors 5
    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 canSAR353615.