canSAR597772
FEATURES
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NAMES
    SMILES
    CCn1c(Sc2ccc(Nc3c(C#N)cnc4cc(OCCCN5CCN(CCOC(N)=O)CC5)c(OC)cc34)cc2Cl)nc(C)c1C
    InChI
    InChI=1S/C34H41ClN8O4S/c1-5-43-23(3)22(2)39-34(43)48-31-8-7-25(17-27(31)35)40-32-24(20-36)21-38-28-19-30(29(45-4)18-26(28)32)46-15-6-9-41-10-12-42(13-11-41)14-16-47-33(37)44/h7-8,17-19,21H,5-6,9-16H2,1-4H3,(H2,37,44)(H,38,40)
    MOLECULAR FORMULA
    C34H41ClN8O4S
    CROSS REFERENCES
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    canSAR597772
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight692.27
    AlogP5.98
    HBond donors3
    HBond acceptors12
    Atoms89
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR597772.