canSAR1417509
FEATURES
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NAMES
    SMILES
    COc1cc(C2C(C(=O)c3ccc4c(c3)CC(C)O4)=C(O)C(=O)N2CC2CCCO2)cc(OC)c1OC
    InChI
    InChI=1S/C28H31NO8/c1-15-10-17-11-16(7-8-20(17)37-15)25(30)23-24(18-12-21(33-2)27(35-4)22(13-18)34-3)29(28(32)26(23)31)14-19-6-5-9-36-19/h7-8,11-13,15,19,24,31H,5-6,9-10,14H2,1-4H3
    MOLECULAR FORMULA
    C28H31NO8
    CROSS REFERENCES
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    canSAR1417509
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight509.20
    AlogP3.79
    HBond donors1
    HBond acceptors9
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417509.