canSAR941480
FEATURES
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NAMES
    SMILES
    CSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn2c[n+]1Cc1cccc(C[n+]2ccc3ccccc3c2)c1
    InChI
    InChI=1S/C33H31N4O4S2/c1-19-26(29(33(40)41)37-28(19)27(20(2)38)30(37)39)25-17-36-18-35(31(42-3)32(36)43-25)15-22-8-6-7-21(13-22)14-34-12-11-23-9-4-5-10-24(23)16-34/h4-13,16-20,27-28,38H,14-15H2,1-3H3/q+1/p+1/t19-,20+,27+,28+/m0/s1
    MOLECULAR FORMULA
    C33H32N4O4S2+2
    CROSS REFERENCES
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    canSAR941480
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight612.19
    AlogP4.20
    HBond donors2
    HBond acceptors8
    Atoms75
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR941480.