canSAR1087213
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCCC(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C47H76N2O8/c1-30(2)31-19-24-47(40(54)48-27-15-13-11-10-12-14-16-36(50)49-29-37(51)52)26-25-45(8)32(39(31)47)17-18-34-44(7)22-21-35(57-38(53)28-42(3,4)41(55)56)43(5,6)33(44)20-23-46(34,45)9/h31-35,39H,1,10-29H2,2-9H3,(H,48,54)(H,49,50)(H,51,52)(H,55,56)/t31-,32+,33-,34+,35-,39+,44-,45+,46+,47-/m0/s1
    MOLECULAR FORMULA
    C47H76N2O8
    CROSS REFERENCES
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    canSAR1087213
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight796.56
    AlogP9.10
    HBond donors4
    HBond acceptors10
    Atoms133
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087213.