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canSAR2092377
FEATURES
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NAMES
    SMILES
    C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1CC1=C(C)C(=O)O[C@]13[C@H]2CC1=C2[C@@H]3/C(=C(\C)C(=O)OC)C(=O)C[C@@]2(C)[C@@H]2C[C@H]12
    InChI
    InChI=1S/C31H34O5/c1-12-15-7-21(15)30(5)18(12)10-19-13(2)28(34)36-31(19)23(30)9-17-16-8-20(16)29(4)11-22(32)24(26(31)25(17)29)14(3)27(33)35-6/h15-16,18,20-21,23,26H,1,7-11H2,2-6H3/b24-14+/t15-,16-,18+,20-,21-,23+,26+,29+,30-,31+/m1/s1
    MOLECULAR FORMULA
    C31H34O5
    CROSS REFERENCES
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    canSAR2092377

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.24
    AlogP 4.88
    HBond donors 0
    HBond acceptors 5
    Atoms 70
    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 canSAR2092377.