canSAR1707382
FEATURES
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NAMES
    SMILES
    CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)C(CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1
    InChI
    InChI=1S/C36H47N5O4/c1-2-36-29(35(45)40-20-18-39(19-21-40)33(43)25-12-13-25)22-26(23-31(42)37-16-14-24-8-4-3-5-9-24)34(44)41(36)17-15-28-27-10-6-7-11-30(27)38-32(28)36/h6-8,10-11,25-26,29,38H,2-5,9,12-23H2,1H3,(H,37,42)/t26?,29-,36+/m1/s1
    MOLECULAR FORMULA
    C36H47N5O4
    CROSS REFERENCES
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    canSAR1707382
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight613.36
    AlogP4.27
    HBond donors2
    HBond acceptors9
    Atoms92
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1707382.