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canSAR1132383
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NAMES
    SMILES
    CC1=C(CC/C(C)=C/CC/C(C)=C/CCC2=CC(=O)OC2O)C(C)(C)CCC1O
    InChI
    InChI=1S/C25H38O4/c1-17(10-7-11-20-16-23(27)29-24(20)28)8-6-9-18(2)12-13-21-19(3)22(26)14-15-25(21,4)5/h9-10,16,22,24,26,28H,6-8,11-15H2,1-5H3/b17-10+,18-9+
    MOLECULAR FORMULA
    C25H38O4
    CROSS REFERENCES
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    canSAR1132383

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.28
    AlogP 5.52
    HBond donors 2
    HBond acceptors 4
    Atoms 67
    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 canSAR1132383.