672167 logo
canSAR672167
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCCC3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCCC2CCCCC2)cc1
    InChI
    InChI=1S/C45H65N5/c1-5-15-38(16-6-1)23-13-26-47-29-30-50(36-44(47)32-40-19-9-3-10-20-40)45(33-41-21-11-4-12-22-41)37-48-27-14-24-42(48)35-49-28-25-46-34-43(49)31-39-17-7-2-8-18-39/h2-4,7-12,17-22,38,42-46H,1,5-6,13-16,23-37H2/t42?,43-,44-,45-/m0/s1
    MOLECULAR FORMULA
    C45H65N5
    CROSS REFERENCES
    672167 logo

    canSAR672167

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 675.52
    AlogP 7.17
    HBond donors 1
    HBond acceptors 5
    Atoms 115
    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 canSAR672167.