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canSAR1827509
FEATURES
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NAMES
    SMILES
    COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O
    InChI
    InChI=1S/C23H25N5O5.CH4O3S/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20;1-5(2,3)4/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H3,(H,2,3,4)/t20-;/m1./s1
    MOLECULAR FORMULA
    C24H29N5O8S
    CROSS REFERENCES
    1827509 logo

    canSAR1827509

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.17
    AlogP 1.22
    HBond donors 3
    HBond acceptors 13
    Atoms 67
    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 canSAR1827509.