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canSAR674738
FEATURES
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NAMES
    SMILES
    COCCNC(=O)[C@H]1OC(n2cnc3c(NCCc4cn(Cc5ccc(Cl)cc5)c5ccccc45)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C30H32ClN7O5/c1-42-13-12-33-29(41)26-24(39)25(40)30(43-26)38-17-36-23-27(34-16-35-28(23)38)32-11-10-19-15-37(22-5-3-2-4-21(19)22)14-18-6-8-20(31)9-7-18/h2-9,15-17,24-26,30,39-40H,10-14H2,1H3,(H,33,41)(H,32,34,35)/t24-,25+,26-,30?/m0/s1
    MOLECULAR FORMULA
    C30H32ClN7O5
    CROSS REFERENCES
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    canSAR674738

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 605.22
    AlogP 2.52
    HBond donors 4
    HBond acceptors 12
    Atoms 75
    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 canSAR674738.