91992 logo
canSAR91992
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC12CC3CC(CC(C3)C1)C2
    InChI
    InChI=1S/C49H71N5O10/c1-29(2)17-37(41(55)24-43(57)50-31(5)45(59)51-38(18-30(3)4)42(56)25-44(58)63-6)52-46(60)39(22-32-13-9-7-10-14-32)53-47(61)40(23-33-15-11-8-12-16-33)54-48(62)64-49-26-34-19-35(27-49)21-36(20-34)28-49/h7-16,29-31,34-42,55-56H,17-28H2,1-6H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)
    MOLECULAR FORMULA
    C49H71N5O10
    CROSS REFERENCES
    91992 logo

    canSAR91992

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 889.52
    AlogP 4.26
    HBond donors 7
    HBond acceptors 15
    Atoms 135
    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 canSAR91992.