654007 logo
canSAR654007
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(C(=O)c1ccccc1)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
    InChI
    InChI=1S/C38H35ClN2O5/c1-24(42)41-29(19-27-11-7-8-12-32(27)41)23-46-30-17-18-33-31(20-30)35(36(43)26-9-5-4-6-10-26)34(21-38(2,3)37(44)45)40(33)22-25-13-15-28(39)16-14-25/h4-18,20,29H,19,21-23H2,1-3H3,(H,44,45)/t29-/m0/s1
    MOLECULAR FORMULA
    C38H35ClN2O5
    CROSS REFERENCES
    654007 logo

    canSAR654007

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 634.22
    AlogP 7.58
    HBond donors 1
    HBond acceptors 7
    Atoms 81
    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 canSAR654007.