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canSAR1011130
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NAMES
    SMILES
    C=C1CC[C@H](N)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C
    InChI
    InChI=1S/C27H45N/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26H,3,6-11,14-18,28H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
    MOLECULAR FORMULA
    C27H45N
    CROSS REFERENCES
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    canSAR1011130

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.36
    AlogP 7.59
    HBond donors 2
    HBond acceptors 1
    Atoms 73
    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 canSAR1011130.