canSAR948455
FEATURES
Loading...
NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C38H43N9O5/c39-38(40)41-16-8-15-29(45-35(49)30-19-26-25-12-5-7-14-28(25)44-33(26)21-43-30)34(48)46-31(17-22-9-2-1-3-10-22)36(50)47-32(37(51)52)18-23-20-42-27-13-6-4-11-24(23)27/h1-7,9-14,20,29-32,42-44H,8,15-19,21H2,(H,45,49)(H,46,48)(H,47,50)(H,51,52)(H4,39,40,41)/t29-,30-,31-,32-/m0/s1
    MOLECULAR FORMULA
    C38H43N9O5
    CROSS REFERENCES
    Loading...
    canSAR948455
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight705.34
    AlogP1.95
    HBond donors11
    HBond acceptors14
    Atoms95
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR948455.