canSAR543536
FEATURES
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NAMES
    SMILES
    Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)c5ccc(N(CCCl)CCCl)cc5)cn4C)cn3C)cn2C)cc1C(=O)NCCC(=N)N
    InChI
    InChI=1S/C37H43Cl2N13O5/c1-48-18-23(15-27(48)34(54)42-12-9-30(40)41)43-35(55)28-16-24(19-49(28)2)44-36(56)29-17-25(20-50(29)3)45-37(57)32-46-31(21-51(32)4)47-33(53)22-5-7-26(8-6-22)52(13-10-38)14-11-39/h5-8,15-21H,9-14H2,1-4H3,(H3,40,41)(H,42,54)(H,43,55)(H,44,56)(H,45,57)(H,47,53)
    MOLECULAR FORMULA
    C37H43Cl2N13O5
    CROSS REFERENCES
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    canSAR543536
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight819.29
    AlogP3.78
    HBond donors8
    HBond acceptors18
    Atoms100
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR543536.