canSAR1846679
FEATURES
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NAMES
    SMILES
    CCN(CC)CCNC(=O)CCCCn1c(S)nc2c3cc(OC)ccc3nc-2c1O
    InChI
    InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,29H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
    MOLECULAR FORMULA
    C22H31N5O3S
    CROSS REFERENCES
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    canSAR1846679
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight445.21
    AlogP3.17
    HBond donors2
    HBond acceptors8
    Atoms62
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846679.