canSAR1003787
FEATURES
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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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    canSAR1003787
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight383.36
    AlogP7.59
    HBond donors2
    HBond acceptors1
    Atoms73
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1003787.