canSAR545003
FEATURES
Loading...
NAMES
    SMILES
    Cl.Cn1cc(NC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(=N)N)n(C)n2)n(C)n1
    InChI
    InChI=1S/C30H36Cl2N12O4.ClH/c1-41-17-19(36-27(45)18-4-6-20(7-5-18)44(12-9-31)13-10-32)14-21(41)29(47)37-26-16-23(43(3)40-26)30(48)38-25-15-22(42(2)39-25)28(46)35-11-8-24(33)34;/h4-7,14-17H,8-13H2,1-3H3,(H3,33,34)(H,35,46)(H,36,45)(H,37,40,47)(H,38,39,48);1H
    MOLECULAR FORMULA
    C30H37Cl3N12O4
    CROSS REFERENCES
    Loading...
    canSAR545003
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight734.21
    AlogP3.01
    HBond donors7
    HBond acceptors16
    Atoms86
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545003.