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canSAR830418
FEATURES
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NAMES
    SMILES
    CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1
    InChI
    InChI=1S/C36H56O6/c1-30(2)16-18-36(29(40)41)19-17-34(8)22(23(36)20-30)10-11-25-33(7)14-13-26(42-27(37)21-31(3,4)28(38)39)32(5,6)24(33)12-15-35(25,34)9/h20,22,24-26H,10-19,21H2,1-9H3,(H,38,39)(H,40,41)/t22-,24+,25-,26+,33+,34-,35-,36+/m1/s1
    MOLECULAR FORMULA
    C36H56O6
    CROSS REFERENCES
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    canSAR830418

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 584.41
    AlogP 8.29
    HBond donors 2
    HBond acceptors 6
    Atoms 98
    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 canSAR830418.