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canSAR1507406
FEATURES
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NAMES
    SMILES
    O=C(CNc1cnnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1
    InChI
    InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(7-14)19(8-29-31-18)28-10-21(33)30-15-11-32(12-15)16-3-5-22(34,6-4-16)20-9-27-13-35-20/h1-2,7-9,13,15-16,34H,3-6,10-12H2,(H,28,31)(H,30,33)/t16-,22-
    MOLECULAR FORMULA
    C23H25F3N6O2S
    CROSS REFERENCES
    1507406 logo

    canSAR1507406

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.17
    AlogP 3.15
    HBond donors 3
    HBond acceptors 8
    Atoms 60
    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 canSAR1507406.