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canSAR2016129
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2
    InChI
    InChI=1S/C29H44N2O4/c1-2-35-28(34)29-17-10-9-15-25(29)31(18-16-22-11-5-3-6-12-22)27(33)24(20-29)19-26(32)30-21-23-13-7-4-8-14-23/h11,15,23-24H,2-10,12-14,16-21H2,1H3,(H,30,32)/t24-,29+/m1/s1
    MOLECULAR FORMULA
    C29H44N2O4
    CROSS REFERENCES
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    canSAR2016129

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.33
    AlogP 5.43
    HBond donors 1
    HBond acceptors 6
    Atoms 79
    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 canSAR2016129.