2003412 logo
canSAR2003412
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1
    InChI
    InChI=1S/C37H47Cl2N3O5/c1-25-21-42(26(2)24-43)37(45)31-20-30(40-36(44)19-28-11-6-5-7-12-28)14-16-34(31)47-27(3)10-8-9-17-46-35(25)23-41(4)22-29-13-15-32(38)33(39)18-29/h5-7,11-16,18,20,25-27,35,43H,8-10,17,19,21-24H2,1-4H3,(H,40,44)/t25-,26-,27+,35+/m1/s1
    MOLECULAR FORMULA
    C37H47Cl2N3O5
    CROSS REFERENCES
    2003412 logo

    canSAR2003412

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 683.29
    AlogP 7.10
    HBond donors 2
    HBond acceptors 8
    Atoms 94
    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 canSAR2003412.