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canSAR1971749
FEATURES
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NAMES
    SMILES
    COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CC3CCCO3)c2=N)cc1
    InChI
    InChI=1S/C27H29N5O4/c1-17-5-3-13-31-24(17)30-25-22(27(31)34)15-21(23(28)32(25)16-20-6-4-14-36-20)26(33)29-12-11-18-7-9-19(35-2)10-8-18/h3,5,7-10,13,15,20,28H,4,6,11-12,14,16H2,1-2H3,(H,29,33)
    MOLECULAR FORMULA
    C27H29N5O4
    CROSS REFERENCES
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    canSAR1971749

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.22
    AlogP 2.60
    HBond donors 2
    HBond acceptors 9
    Atoms 65
    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 canSAR1971749.