canSAR418921
FEATURES
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NAMES
    SMILES
    CCCN(CCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)/C=C/OC(C)(O4)C3=O
    InChI
    InChI=1S/C44H61N3O11/c1-12-18-47(19-13-2)45-22-30-21-31-33-38(51)28(8)41-34(31)42(53)44(10,58-41)56-20-17-32(55-11)25(5)40(57-29(9)48)27(7)37(50)26(6)36(49)23(3)15-14-16-24(4)43(54)46-35(30)39(33)52/h14-17,20-23,25-27,32,36-37,40,49-52H,12-13,18-19H2,1-11H3,(H,46,54)/b15-14+,20-17+,24-16-,45-22+
    MOLECULAR FORMULA
    C44H61N3O11
    CROSS REFERENCES
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    canSAR418921
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight807.43
    AlogP6.50
    HBond donors5
    HBond acceptors14
    Atoms119
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR418921.