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canSAR15943
FEATURES
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NAMES
    SMILES
    CC(C)=CC(=O)NC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(Oc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C28H30N6O5/c1-17(2)12-22(35)29-14-21-24(36)25(37)28(39-21)34-16-33-23-26(31-15-32-27(23)34)30-13-18-8-10-20(11-9-18)38-19-6-4-3-5-7-19/h3-12,15-16,21,24-25,28,36-37H,13-14H2,1-2H3,(H,29,35)(H,30,31,32)/t21-,24-,25-,28-/m1/s1
    MOLECULAR FORMULA
    C28H30N6O5
    CROSS REFERENCES
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    canSAR15943

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.23
    AlogP 2.93
    HBond donors 4
    HBond acceptors 11
    Atoms 69
    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 canSAR15943.