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canSAR659081
FEATURES
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NAMES
    SMILES
    CN1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCNc2c3c(nc4ccccc24)CCCC3)C1
    InChI
    InChI=1S/C30H40N6O3S/c1-36-17-6-9-22(21-36)28-30(35-40-34-28)39-19-8-18-38-20-14-27(37)31-15-7-16-32-29-23-10-2-4-12-25(23)33-26-13-5-3-11-24(26)29/h2,4,9-10,12H,3,5-8,11,13-21H2,1H3,(H,31,37)(H,32,33)
    MOLECULAR FORMULA
    C30H40N6O3S
    CROSS REFERENCES
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    canSAR659081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.29
    AlogP 4.48
    HBond donors 2
    HBond acceptors 9
    Atoms 80
    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 canSAR659081.