canSAR2079885
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn(-c4ccc(OCCC)c(Cl)c4)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C42H60ClN3O4/c1-9-22-49-32-12-10-28(23-31(32)43)46-24-27(44-45-46)25-50-37(48)42-19-14-29(26(2)3)36(42)30-11-13-34-39(6)17-16-35(47)38(4,5)33(39)15-18-41(34,8)40(30,7)20-21-42/h10,12,23-24,29-30,33-36,47H,2,9,11,13-22,25H2,1,3-8H3/t29-,30+,33-,34+,35-,36+,39-,40+,41+,42-/m0/s1
    MOLECULAR FORMULA
    C42H60ClN3O4
    CROSS REFERENCES
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    canSAR2079885
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight705.43
    AlogP9.77
    HBond donors1
    HBond acceptors7
    Atoms110
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079885.