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canSAR674932
FEATURES
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NAMES
    SMILES
    O=C(NC1CC1)[C@H]1OC(n2cnc3c(NCCc4c(-c5ccccc5)[nH]c5ccccc45)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C29H29N7O4/c37-23-24(38)29(40-25(23)28(39)34-17-10-11-17)36-15-33-22-26(31-14-32-27(22)36)30-13-12-19-18-8-4-5-9-20(18)35-21(19)16-6-2-1-3-7-16/h1-9,14-15,17,23-25,29,35,37-38H,10-13H2,(H,34,39)(H,30,31,32)/t23-,24+,25-,29?/m0/s1
    MOLECULAR FORMULA
    C29H29N7O4
    CROSS REFERENCES
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    canSAR674932

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.23
    AlogP 2.53
    HBond donors 5
    HBond acceptors 11
    Atoms 69
    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 canSAR674932.