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canSAR1060642
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H](OC(=O)N(C)C)[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](O)CC[C@@]45C[C@@]35CC[C@]21C
    InChI
    InChI=1S/C33H55NO5/c1-18(2)25(39-28(37)34(8)9)20-16-19(3)24-26(38-20)27(36)31(7)22-11-10-21-29(4,5)23(35)12-13-32(21)17-33(22,32)15-14-30(24,31)6/h18-27,35-36H,10-17H2,1-9H3/t19-,20-,21+,22+,23+,24+,25-,26+,27+,30-,31-,32-,33+/m1/s1
    MOLECULAR FORMULA
    C33H55NO5
    CROSS REFERENCES
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    canSAR1060642

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.41
    AlogP 5.88
    HBond donors 2
    HBond acceptors 6
    Atoms 94
    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 canSAR1060642.