canSAR2097535
FEATURES
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NAMES
    SMILES
    COc1ccccc1-c1csc2nc(N3C4CCC3CC(O)C4)nc(N3CCC(C(N)=O)C3)c12
    InChI
    InChI=1S/C25H29N5O3S/c1-33-20-5-3-2-4-18(20)19-13-34-24-21(19)23(29-9-8-14(12-29)22(26)32)27-25(28-24)30-15-6-7-16(30)11-17(31)10-15/h2-5,13-17,31H,6-12H2,1H3,(H2,26,32)
    MOLECULAR FORMULA
    C25H29N5O3S
    CROSS REFERENCES
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    canSAR2097535
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight479.20
    AlogP3.17
    HBond donors3
    HBond acceptors8
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2097535.