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canSAR78574
FEATURES
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NAMES
    SMILES
    Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCCNC(=O)c4cccc(C(=O)O)c4)C(=O)O)cc3)cnc2n1
    InChI
    InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-18(33-20)12-31-17-8-6-14(7-9-17)24(38)34-19(26(41)42)5-2-10-30-23(37)15-3-1-4-16(11-15)25(39)40/h1,3-4,6-9,11,13,19,31H,2,5,10,12H2,(H,30,37)(H,34,38)(H,39,40)(H,41,42)(H4,28,29,32,35,36)
    MOLECULAR FORMULA
    C27H27N9O6
    CROSS REFERENCES
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    canSAR78574

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.21
    AlogP 1.29
    HBond donors 9
    HBond acceptors 15
    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 canSAR78574.