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canSAR1618214
FEATURES
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NAMES
    SMILES
    C=C1C(=O)[C@@]23CC[C@H](C(=C)C)[C@@](C)(CCC(=O)OCc4ccccc4)[C@@H]2CC[C@H]1C3
    InChI
    InChI=1S/C27H34O3/c1-18(2)22-12-15-27-16-21(19(3)25(27)29)10-11-23(27)26(22,4)14-13-24(28)30-17-20-8-6-5-7-9-20/h5-9,21-23H,1,3,10-17H2,2,4H3/t21-,22+,23-,26+,27+/m0/s1
    MOLECULAR FORMULA
    C27H34O3
    CROSS REFERENCES
    1618214 logo

    canSAR1618214

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.25
    AlogP 6.04
    HBond donors 0
    HBond acceptors 3
    Atoms 64
    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 canSAR1618214.