canSAR1632151
FEATURES
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NAMES
    SMILES
    CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
    InChI
    InChI=1S/C35H44N6O3S3/c1-3-41-30(47-32(33(41)43)34-39(2)26-15-6-7-16-27(26)46-34)22-24-14-10-13-21-40(24)20-12-5-4-11-19-36-29(42)18-9-8-17-28-31-25(23-45-28)37-35(44)38-31/h6-7,10,13-16,21-22,25,28,31H,3-5,8-9,11-12,17-20,23H2,1-2H3,(H2-,36,37,38,42,44)/p+1/b34-32+/t25-,28-,31-/m0/s1
    MOLECULAR FORMULA
    C35H45N6O3S3+
    CROSS REFERENCES
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    canSAR1632151
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight693.27
    AlogP3.76
    HBond donors3
    HBond acceptors9
    Atoms92
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632151.