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canSAR1635822
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NAMES
    SMILES
    Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccccc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C18H17N3O2.C2H2O4/c1-21-15(14-7-8-16-17(9-14)23-12-22-16)11-20-18(21)19-10-13-5-3-2-4-6-13;3-1(4)2(5)6/h2-9,11H,10,12H2,1H3,(H,19,20);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C20H19N3O6
    CROSS REFERENCES
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    canSAR1635822

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.13
    AlogP 2.58
    HBond donors 3
    HBond acceptors 9
    Atoms 48
    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 canSAR1635822.