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canSAR2048282
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NAMES
    SMILES
    N[C@H](CNc1nc(-c2ccncc2)nc2c(NC(=O)C3CCCCC3)csc12)Cc1ccccc1
    InChI
    InChI=1S/C27H30N6OS/c28-21(15-18-7-3-1-4-8-18)16-30-26-24-23(32-25(33-26)19-11-13-29-14-12-19)22(17-35-24)31-27(34)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15-16,28H2,(H,31,34)(H,30,32,33)/t21-/m0/s1
    MOLECULAR FORMULA
    C27H30N6OS
    CROSS REFERENCES
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    canSAR2048282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.22
    AlogP 5.25
    HBond donors 4
    HBond acceptors 7
    Atoms 65
    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 canSAR2048282.