canSAR1087192
FEATURES
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NAMES
    SMILES
    CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)C[C@]5(CC)CCCN6CC[C@]43[C@@H]65)C2)C1
    InChI
    InChI=1S/C44H58N4O7/c1-7-40-15-11-17-48-19-16-42(36(40)48)30-20-31(34(53-4)21-33(30)46(3)37(42)44(52,25-40)39(50)55-6)43(38(49)54-5)23-27-22-41(51,8-2)26-47(24-27)18-14-29-28-12-9-10-13-32(28)45-35(29)43/h9-10,12-13,20-21,27,36-37,45,51-52H,7-8,11,14-19,22-26H2,1-6H3/t27-,36+,37-,40+,41+,42-,43+,44-/m1/s1
    MOLECULAR FORMULA
    C44H58N4O7
    CROSS REFERENCES
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    canSAR1087192
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight754.43
    AlogP4.67
    HBond donors3
    HBond acceptors11
    Atoms113
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087192.