canSAR1632003
FEATURES
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NAMES
    SMILES
    CCN(CC)CCN(Cc1cc2cc(C)cc(C)c2nc1O)C(S)=NCc1ccco1
    InChI
    InChI=1S/C24H32N4O2S/c1-5-27(6-2)9-10-28(24(31)25-15-21-8-7-11-30-21)16-20-14-19-13-17(3)12-18(4)22(19)26-23(20)29/h7-8,11-14H,5-6,9-10,15-16H2,1-4H3,(H,25,31)(H,26,29)
    MOLECULAR FORMULA
    C24H32N4O2S
    CROSS REFERENCES
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    canSAR1632003
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight440.22
    AlogP4.78
    HBond donors1
    HBond acceptors6
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632003.