canSAR741271
FEATURES
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NAMES
    SMILES
    CC(C)n1cnc2c(NCc3csc(-c4ccccc4)c3)nc(N[C@H]3CC[C@H](N)CC3)nc21.Cl
    InChI
    InChI=1S/C25H31N7S.ClH/c1-16(2)32-15-28-22-23(27-13-17-12-21(33-14-17)18-6-4-3-5-7-18)30-25(31-24(22)32)29-20-10-8-19(26)9-11-20;/h3-7,12,14-16,19-20H,8-11,13,26H2,1-2H3,(H2,27,29,30,31);1H/t19-,20-;
    MOLECULAR FORMULA
    C25H32ClN7S
    CROSS REFERENCES
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    canSAR741271
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight497.21
    AlogP5.85
    HBond donors4
    HBond acceptors7
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR741271.