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canSAR1127127
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NAMES
    SMILES
    c1ccc(N2CCN(c3nc(-c4ccccn4)nc4sc5c(c34)CCCCCC5)CC2)cc1
    InChI
    InChI=1S/C27H29N5S/c1-2-7-14-23-21(12-6-1)24-26(29-25(30-27(24)33-23)22-13-8-9-15-28-22)32-18-16-31(17-19-32)20-10-4-3-5-11-20/h3-5,8-11,13,15H,1-2,6-7,12,14,16-19H2
    MOLECULAR FORMULA
    C27H29N5S
    CROSS REFERENCES
    1127127 logo

    canSAR1127127

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.21
    AlogP 5.74
    HBond donors 0
    HBond acceptors 5
    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 canSAR1127127.