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canSAR347436
FEATURES
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NAMES
    SMILES
    CCCNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N
    InChI
    InChI=1S/C31H34N4O5/c1-2-18-33-29(38)25-28(32)35(20-34-25)30-27(37)26(36)24(40-30)19-39-31(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24,26-27,30,36-37H,2,18-19,32H2,1H3,(H,33,38)/t24-,26-,27-,30-/m1/s1
    MOLECULAR FORMULA
    C31H34N4O5
    CROSS REFERENCES
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    canSAR347436

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.25
    AlogP 3.23
    HBond donors 5
    HBond acceptors 9
    Atoms 74
    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 canSAR347436.