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canSAR1129815
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NAMES
    SMILES
    CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1
    InChI
    InChI=1S/C26H29N5OS/c1-2-17-8-13-22-23(15-17)33-26(29-22)31-24-16-20(14-18-6-4-3-5-7-18)28-25(30-24)27-19-9-11-21(32)12-10-19/h3-8,13,15-16,19,21,32H,2,9-12,14H2,1H3,(H2,27,28,29,30,31)/t19-,21-
    MOLECULAR FORMULA
    C26H29N5OS
    CROSS REFERENCES
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    canSAR1129815

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.21
    AlogP 5.70
    HBond donors 3
    HBond acceptors 6
    Atoms 62
    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 canSAR1129815.