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canSAR745890
FEATURES
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NAMES
    SMILES
    Cl.Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N
    InChI
    InChI=1S/C35H46N14O6.2ClH/c1-46-18-22(14-24(46)32(52)40-10-8-28(36)37)44-34(54)26-12-20(16-48(26)3)42-30(50)6-5-7-31(51)43-21-13-27(49(4)17-21)35(55)45-23-15-25(47(2)19-23)33(53)41-11-9-29(38)39;;/h12-19H,5-11H2,1-4H3,(H3,36,37)(H3,38,39)(H,40,52)(H,41,53)(H,42,50)(H,43,51)(H,44,54)(H,45,55);2*1H
    MOLECULAR FORMULA
    C35H48Cl2N14O6
    CROSS REFERENCES
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    canSAR745890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 830.33
    AlogP 2.25
    HBond donors 12
    HBond acceptors 20
    Atoms 105
    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 canSAR745890.