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canSAR1015100
FEATURES
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NAMES
    SMILES
    CC(C)c1nnc2ccc(Sc3ccccc3CNC(=O)Nc3cc(C(C)(C)[S+](C)[O-])nn3-c3cccc(O)c3)cn12
    InChI
    InChI=1S/C30H33N7O3S2/c1-19(2)28-34-33-26-14-13-23(18-36(26)28)41-24-12-7-6-9-20(24)17-31-29(39)32-27-16-25(30(3,4)42(5)40)35-37(27)21-10-8-11-22(38)15-21/h6-16,18-19,38H,17H2,1-5H3,(H2,31,32,39)
    MOLECULAR FORMULA
    C30H33N7O3S2
    CROSS REFERENCES
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    canSAR1015100

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.21
    AlogP 5.83
    HBond donors 3
    HBond acceptors 10
    Atoms 75
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1015100.