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canSAR1591096
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C[C@H]([C@@](C)(O)[C@@H]2C[C@H](C)[C@@H](C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@@]12O
    InChI
    InChI=1S/C30H42O8/c1-15-12-22(37-25(33)16(15)2)28(6,34)20-14-24(36-17(3)31)30(35)19-13-23-29(38-23)10-7-8-21(32)27(29,5)18(19)9-11-26(20,30)4/h7-8,15-16,18-20,22-24,34-35H,9-14H2,1-6H3/t15-,16+,18-,19+,20-,22-,23+,24-,26+,27-,28+,29+,30+/m0/s1
    MOLECULAR FORMULA
    C30H42O8
    CROSS REFERENCES
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    canSAR1591096

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.29
    AlogP 3.12
    HBond donors 2
    HBond acceptors 8
    Atoms 80
    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 canSAR1591096.