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canSAR1065781
FEATURES
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NAMES
    SMILES
    COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CCCCCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C32H53NO5/c1-21(10-15-30(37)38-4)25-13-14-26-24-12-11-22-20-23(33-28(34)8-6-5-7-9-29(35)36)16-18-31(22,2)27(24)17-19-32(25,26)3/h21-27H,5-20H2,1-4H3,(H,33,34)(H,35,36)/t21-,22-,23+,24+,25-,26+,27+,31+,32-/m1/s1
    MOLECULAR FORMULA
    C32H53NO5
    CROSS REFERENCES
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    canSAR1065781

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.39
    AlogP 6.75
    HBond donors 2
    HBond acceptors 6
    Atoms 91
    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 canSAR1065781.