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canSAR654955
FEATURES
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NAMES
    SMILES
    CN1CCC=C(c2nsnc2OCCCOCC(=O)NCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)C1
    InChI
    InChI=1S/C34H48N6O3S/c1-40-21-12-14-26(24-40)32-34(39-44-38-32)43-23-13-22-42-25-31(41)35-19-10-4-2-3-5-11-20-36-33-27-15-6-8-17-29(27)37-30-18-9-7-16-28(30)33/h6,8,14-15,17H,2-5,7,9-13,16,18-25H2,1H3,(H,35,41)(H,36,37)
    MOLECULAR FORMULA
    C34H48N6O3S
    CROSS REFERENCES
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    canSAR654955

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.35
    AlogP 6.04
    HBond donors 2
    HBond acceptors 9
    Atoms 92
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR654955.