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canSAR169048
FEATURES
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NAMES
    SMILES
    Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)c4ccccc34)cnc2n1
    InChI
    InChI=1S/C31H29N9O6/c32-25-24-26(40-31(33)39-25)36-15-16(37-24)14-35-22-12-11-20(17-6-1-2-7-18(17)22)28(42)38-23(30(45)46)10-5-13-34-27(41)19-8-3-4-9-21(19)29(43)44/h1-4,6-9,11-12,15,23,35H,5,10,13-14H2,(H,34,41)(H,38,42)(H,43,44)(H,45,46)(H4,32,33,36,39,40)
    MOLECULAR FORMULA
    C31H29N9O6
    CROSS REFERENCES
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    canSAR169048

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 623.22
    AlogP 2.44
    HBond donors 9
    HBond acceptors 15
    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 canSAR169048.