5659 logo
canSAR5659
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCc1ccccn1)C(C)C
    InChI
    InChI=1S/C44H68N4O7/c1-5-6-20-40(55-41(29-34-17-11-8-12-18-34)44(52)48-26-22-36(23-27-48)54-31-53-4)43(51)47-38(28-33-15-9-7-10-16-33)39(49)30-37(32(2)3)42(50)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,49H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,50)(H,47,51)/t37-,38-,39-,40-,41-/m0/s1
    MOLECULAR FORMULA
    C44H68N4O7
    CROSS REFERENCES
    5659 logo

    canSAR5659

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 764.51
    AlogP 6.02
    HBond donors 3
    HBond acceptors 11
    Atoms 123
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR5659.