canSAR1631719
FEATURES
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NAMES
    SMILES
    COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2
    InChI
    InChI=1S/C30H40N2O5/c1-36-28(35)30-8-4-2-3-7-25(30)32(18-24-6-5-9-37-24)27(34)23(17-30)13-26(33)31-19-29-14-20-10-21(15-29)12-22(11-20)16-29/h5-7,9,20-23H,2-4,8,10-19H2,1H3,(H,31,33)/t20?,21?,22?,23-,29?,30+/m1/s1
    MOLECULAR FORMULA
    C30H40N2O5
    CROSS REFERENCES
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    canSAR1631719
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight508.29
    AlogP4.97
    HBond donors1
    HBond acceptors7
    Atoms77
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631719.