985095 logo
canSAR985095
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCCCCCC(=O)OCc1cn(CC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)OCc5ccccc5)CC[C@]34C)C2(C)C)nn1
    InChI
    InChI=1S/C54H81N3O6/c1-9-10-11-12-13-14-15-16-20-23-46(58)61-38-40-35-57(56-55-40)36-47(59)63-45-27-28-51(6)43(50(45,4)5)26-29-53(8)44(51)25-24-41-42-34-49(2,3)30-32-54(42,33-31-52(41,53)7)48(60)62-37-39-21-18-17-19-22-39/h17-19,21-22,24,35,42-45H,9-16,20,23,25-34,36-38H2,1-8H3/t42-,43-,44+,45-,51-,52+,53+,54-/m0/s1
    MOLECULAR FORMULA
    C54H81N3O6
    CROSS REFERENCES
    985095 logo

    canSAR985095

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 867.61
    AlogP 12.70
    HBond donors 0
    HBond acceptors 9
    Atoms 144
    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 canSAR985095.