canSAR413964
FEATURES
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NAMES
    SMILES
    CC(O)CCC(=O)N(c1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C
    InChI
    InChI=1S/C23H27N5O4/c1-14(2)21(23(31)32)28(20(30)13-8-15(3)29)17-11-9-16(10-12-17)18-6-4-5-7-19(18)22-24-26-27-25-22/h4-7,9-12,14-15,21,29H,8,13H2,1-3H3,(H,31,32)(H,24,25,26,27)/t15?,21-/m0/s1
    MOLECULAR FORMULA
    C23H27N5O4
    CROSS REFERENCES
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    canSAR413964
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight437.21
    AlogP3.14
    HBond donors3
    HBond acceptors9
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR413964.