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canSAR1154217
FEATURES
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NAMES
    SMILES
    CC1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@H](O)C(C)(C)CC[C@]3(C(=O)O)CC[C@]21C
    InChI
    InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)19(22(30)23(25)32)8-9-21-28(27,6)11-10-20-26(3,4)16-18(17-31)29(20,21)7/h8,16-17,20-23,32H,9-15H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,27+,28+,29-,30-/m0/s1
    MOLECULAR FORMULA
    C30H44O4
    CROSS REFERENCES
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    canSAR1154217

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.32
    AlogP 6.19
    HBond donors 2
    HBond acceptors 4
    Atoms 78
    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 canSAR1154217.