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canSAR1157375
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)OC(=O)N3CCOCC3)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/C35H55NO5/c1-22(2)23-10-15-35(29(38)41-30(39)36-18-20-40-21-19-36)17-16-33(6)24(28(23)35)8-9-26-32(5)13-12-27(37)31(3,4)25(32)11-14-34(26,33)7/h23-28,37H,1,8-21H2,2-7H3/t23-,24+,25-,26+,27-,28+,32-,33+,34+,35-/m0/s1
    MOLECULAR FORMULA
    C35H55NO5
    CROSS REFERENCES
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    canSAR1157375

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 569.41
    AlogP 7.00
    HBond donors 1
    HBond acceptors 6
    Atoms 96
    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 canSAR1157375.