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canSAR1061823
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NAMES
    SMILES
    CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
    InChI
    InChI=1S/C36H57NO7/c1-20-18-22(29(32(5,6)41)42-21(2)38)43-27-26(20)33(7)14-15-36-19-35(36)13-12-25(44-30(40)37-16-9-17-37)31(3,4)23(35)10-11-24(36)34(33,8)28(27)39/h20,22-29,39,41H,9-19H2,1-8H3/t20-,22-,23+,24+,25+,26+,27+,28+,29+,33-,34-,35-,36+/m1/s1
    MOLECULAR FORMULA
    C36H57NO7
    CROSS REFERENCES
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    canSAR1061823

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 615.41
    AlogP 5.71
    HBond donors 2
    HBond acceptors 8
    Atoms 101
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1061823.