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canSAR1402129
FEATURES
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NAMES
    SMILES
    N#Cc1cc(-c2ccnc(Nc3cnn(C[C@H]4C[C@@H]4CO)c3)c2)ccc1OC1CCOCC1
    InChI
    InChI=1S/C25H27N5O3/c26-12-19-9-17(1-2-24(19)33-23-4-7-32-8-5-23)18-3-6-27-25(11-18)29-22-13-28-30(15-22)14-20-10-21(20)16-31/h1-3,6,9,11,13,15,20-21,23,31H,4-5,7-8,10,14,16H2,(H,27,29)/t20-,21-/m1/s1
    MOLECULAR FORMULA
    C25H27N5O3
    CROSS REFERENCES
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    canSAR1402129

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.21
    AlogP 3.75
    HBond donors 2
    HBond acceptors 8
    Atoms 60
    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 canSAR1402129.