canSAR2096342
FEATURES
Loading...
NAMES
    SMILES
    CN(Cc1cn(-c2ccc(-n3cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1)c1ccncc1
    InChI
    InChI=1S/C46H48N14O4/c1-58(37-22-25-48-26-23-37)29-36-31-60(57-55-36)39-18-16-38(17-19-39)59-30-35(54-56-59)28-51-46(64)53-45(47)49-24-8-13-41(43(62)50-27-32-14-20-40(61)21-15-32)52-44(63)42(33-9-4-2-5-10-33)34-11-6-3-7-12-34/h2-7,9-12,14-23,25-26,30-31,41-42,61H,8,13,24,27-29H2,1H3,(H,50,62)(H,52,63)(H4,47,49,51,53,64)/t41-/m1/s1
    MOLECULAR FORMULA
    C46H48N14O4
    CROSS REFERENCES
    Loading...
    canSAR2096342
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight860.40
    AlogP4.11
    HBond donors7
    HBond acceptors18
    Atoms112
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096342.