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canSAR1620217
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NAMES
    SMILES
    Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCC(=O)NCC(=O)O)c(C)c32)c1C
    InChI
    InChI=1S/C21H22N2O7/c1-9-5-14-19(20-18(9)10(2)12(4)29-20)11(3)13(21(28)30-14)6-15(24)22-7-16(25)23-8-17(26)27/h5H,6-8H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)
    MOLECULAR FORMULA
    C21H22N2O7
    CROSS REFERENCES
    1620217 logo

    canSAR1620217

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.14
    AlogP 1.63
    HBond donors 3
    HBond acceptors 9
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620217.