canSAR741111
FEATURES
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NAMES
    SMILES
    CC(C)n1cnc2c(NCc3ccc(-c4ccco4)s3)nc(N[C@H]3CC[C@H](N)CC3)nc21.Cl
    InChI
    InChI=1S/C23H29N7OS.ClH/c1-14(2)30-13-26-20-21(25-12-17-9-10-19(32-17)18-4-3-11-31-18)28-23(29-22(20)30)27-16-7-5-15(24)6-8-16;/h3-4,9-11,13-16H,5-8,12,24H2,1-2H3,(H2,25,27,28,29);1H/t15-,16-;
    MOLECULAR FORMULA
    C23H30ClN7OS
    CROSS REFERENCES
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    canSAR741111
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight487.19
    AlogP5.44
    HBond donors4
    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 canSAR741111.