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canSAR462960
FEATURES
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NAMES
    SMILES
    O[C@@H]1[C@@H](CO/C(S)=N/C2CCCCC2)OC(n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O
    InChI
    InChI=1S/C21H30N6O5S/c28-16-14(9-31-21(33)26-12-4-2-1-3-5-12)32-20(17(16)29)27-11-24-15-18(22-10-23-19(15)27)25-13-6-7-30-8-13/h10-14,16-17,20,28-29H,1-9H2,(H,26,33)(H,22,23,25)/t13?,14-,16-,17-,20?/m1/s1
    MOLECULAR FORMULA
    C21H30N6O5S
    CROSS REFERENCES
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    canSAR462960

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.20
    AlogP 1.28
    HBond donors 3
    HBond acceptors 11
    Atoms 63
    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 canSAR462960.