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canSAR1132380
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NAMES
    SMILES
    CC(C)(O)[C@H]1CC[C@H](Nc2nccc(-n3ncc4c(OCCCS(C)(=O)=O)cccc43)n2)CC1
    InChI
    InChI=1S/C24H33N5O4S/c1-24(2,30)17-8-10-18(11-9-17)27-23-25-13-12-22(28-23)29-20-6-4-7-21(19(20)16-26-29)33-14-5-15-34(3,31)32/h4,6-7,12-13,16-18,30H,5,8-11,14-15H2,1-3H3,(H,25,27,28)/t17-,18-
    MOLECULAR FORMULA
    C24H33N5O4S
    CROSS REFERENCES
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    canSAR1132380

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.23
    AlogP 3.37
    HBond donors 2
    HBond acceptors 9
    Atoms 67
    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 canSAR1132380.