654550 logo
canSAR654550
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CO)CC3)cc(-c3ccccc3)n2)CC1
    InChI
    InChI=1S/C33H45N5O7/c1-2-3-7-20-45-33(44)38-18-16-37(17-19-38)32(43)27(10-11-30(40)41)35-31(42)29-22-26(36-14-12-24(23-39)13-15-36)21-28(34-29)25-8-5-4-6-9-25/h4-6,8-9,21-22,24,27,39H,2-3,7,10-20,23H2,1H3,(H,35,42)(H,40,41)/t27-/m0/s1
    MOLECULAR FORMULA
    C33H45N5O7
    CROSS REFERENCES
    654550 logo

    canSAR654550

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 623.33
    AlogP 3.39
    HBond donors 3
    HBond acceptors 12
    Atoms 90
    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 canSAR654550.