canSAR948285
FEATURES
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NAMES
    SMILES
    COc1ccc(C[C@H]2C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(c(Br)cc4OC)C[C@@H](C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](C)C(=O)N2C)N(C)C3=O)cc1
    InChI
    InChI=1S/C44H55BrN6O9/c1-25-39(52)46(4)26(2)40(53)49(7)34(20-28-12-16-31(58-10)17-13-28)42(55)48(6)27(3)41(54)50(8)35-21-29-14-18-32(19-15-29)60-38-23-30(33(45)24-37(38)59-11)22-36(43(56)47(25)5)51(9)44(35)57/h12-19,23-27,34-36H,20-22H2,1-11H3/t25-,26+,27+,34+,35+,36+/m1/s1
    MOLECULAR FORMULA
    C44H55BrN6O9
    CROSS REFERENCES
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    canSAR948285
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight890.32
    AlogP3.64
    HBond donors0
    HBond acceptors15
    Atoms115
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR948285.