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canSAR784174
FEATURES
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NAMES
    SMILES
    COc1cc(CNC(=O)[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@H]5C4CC[C@H]4C(C)(C)[C@@H](O)CC[C@]54C)[C@@H]3C2)ccc1O
    InChI
    InChI=1S/C37H53NO5/c1-33(2)29-11-9-23-31(37(29,6)13-12-30(33)41)27(40)19-24-25-20-35(4,15-14-34(25,3)16-17-36(23,24)5)32(42)38-21-22-8-10-26(39)28(18-22)43-7/h8,10,18-19,23,25,29-31,39,41H,9,11-17,20-21H2,1-7H3,(H,38,42)/t23?,25-,29-,30-,31+,34+,35-,36-,37-/m0/s1
    MOLECULAR FORMULA
    C37H53NO5
    CROSS REFERENCES
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    canSAR784174

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.39
    AlogP 6.97
    HBond donors 3
    HBond acceptors 6
    Atoms 96
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR784174.