1270066 logo
canSAR1270066
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1(C)CC[C@]2(C(=O)Nc3ccc(Br)cc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccccc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C42H53BrN2O/c1-37(2)20-22-42(36(46)44-27-14-12-26(43)13-15-27)23-21-40(6)30(31(42)25-37)16-17-34-39(5)24-29-28-10-8-9-11-32(28)45-35(29)38(3,4)33(39)18-19-41(34,40)7/h8-16,31,33-34,45H,17-25H2,1-7H3,(H,44,46)/t31-,33-,34+,39-,40+,41+,42-/m0/s1
    MOLECULAR FORMULA
    C42H53BrN2O
    CROSS REFERENCES
    1270066 logo

    canSAR1270066

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 680.33
    AlogP 11.38
    HBond donors 2
    HBond acceptors 3
    Atoms 99
    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 canSAR1270066.