1065446 logo
canSAR1065446
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)ccn1
    InChI
    InChI=1S/C27H31N3O5/c1-34-21-13-17(7-10-28-21)25(32)29-18-6-8-27(33)20-12-16-4-5-19(31)23-22(16)26(27,24(18)35-23)9-11-30(20)14-15-2-3-15/h4-5,7,10,13,15,18,20,24,31,33H,2-3,6,8-9,11-12,14H2,1H3,(H,29,32)/t18-,20-,24+,26+,27-/m1/s1
    MOLECULAR FORMULA
    C27H31N3O5
    CROSS REFERENCES
    1065446 logo

    canSAR1065446

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.23
    AlogP 2.16
    HBond donors 3
    HBond acceptors 8
    Atoms 66
    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 canSAR1065446.