829001 logo
canSAR829001
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)NCC1(c2ccccc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
    InChI
    InChI=1S/C29H30Cl2N2O2/c1-35-28(34)32-19-29(20-9-3-2-4-10-20)17-21-15-16-22(18-29)33(21)27(23-11-5-7-13-25(23)30)24-12-6-8-14-26(24)31/h2-14,21-22,27H,15-19H2,1H3,(H,32,34)/t21-,22-/m0/s1
    MOLECULAR FORMULA
    C29H30Cl2N2O2
    CROSS REFERENCES
    829001 logo

    canSAR829001

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.17
    AlogP 7.00
    HBond donors 1
    HBond acceptors 4
    Atoms 65
    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 canSAR829001.