canSAR1808645
FEATURES
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NAMES
    SMILES
    CC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CNCC[C@H]4c4ccccc4)cc23)cn1
    InChI
    InChI=1S/C27H29N5O2/c1-17(2)34-25-11-9-20(15-29-25)26-22-14-19(8-10-23(22)31-32-26)27(33)30-24-16-28-13-12-21(24)18-6-4-3-5-7-18/h3-11,14-15,17,21,24,28H,12-13,16H2,1-2H3,(H,30,33)(H,31,32)/t21-,24+/m0/s1
    MOLECULAR FORMULA
    C27H29N5O2
    CROSS REFERENCES
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    canSAR1808645
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight455.23
    AlogP4.29
    HBond donors3
    HBond acceptors7
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1808645.