2206510 logo
canSAR2206510
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)OC3(C)C)n2ccnc(N)c12
    InChI
    InChI=1S/C29H28F3N7O4/c1-28(2)20-7-5-16(14-39(20)27(41)43-28)25-37-22(23-24(33)35-10-11-38(23)25)18-6-4-15(12-19(18)42-3)26(40)36-21-13-17(8-9-34-21)29(30,31)32/h4,6,8-13,16,20H,5,7,14H2,1-3H3,(H2,33,35)(H,34,36,40)/t16-,20+/m1/s1
    MOLECULAR FORMULA
    C29H28F3N7O4
    CROSS REFERENCES
    2206510 logo

    canSAR2206510

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 595.22
    AlogP 5.13
    HBond donors 3
    HBond acceptors 11
    Atoms 71
    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 canSAR2206510.