canSAR823751
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)NCc3nc4ccccc4s3)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/C44H62N2O5S/c1-26(2)27-16-21-44(37(48)45-25-34-46-29-12-10-11-13-30(29)52-34)23-22-42(8)28(36(27)44)14-15-32-41(7)19-18-33(51-35(47)24-39(3,4)38(49)50)40(5,6)31(41)17-20-43(32,42)9/h10-13,27-28,31-33,36H,1,14-25H2,2-9H3,(H,45,48)(H,49,50)/t27-,28+,31-,32+,33-,36+,41-,42+,43+,44-/m0/s1
    MOLECULAR FORMULA
    C44H62N2O5S
    CROSS REFERENCES
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    canSAR823751
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight730.44
    AlogP9.98
    HBond donors2
    HBond acceptors7
    Atoms114
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823751.