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canSAR6643
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NAMES
    SMILES
    CC1=C(C(C)C)/C(=C/C(C)=C/C=C/C(C)=C/C(=O)O)CCC1
    InChI
    InChI=1S/C20H28O2/c1-14(2)20-17(5)10-7-11-18(20)12-15(3)8-6-9-16(4)13-19(21)22/h6,8-9,12-14H,7,10-11H2,1-5H3,(H,21,22)/b9-6+,15-8+,16-13+,18-12+
    MOLECULAR FORMULA
    C20H28O2
    CROSS REFERENCES
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    canSAR6643

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 300.21
    AlogP 5.60
    HBond donors 1
    HBond acceptors 2
    Atoms 50
    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 canSAR6643.