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canSAR1989697
FEATURES
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NAMES
    SMILES
    Oc1ccc2c3c1O[C@H]1c4n[nH]cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314
    InChI
    InChI=1S/C21H23N3O2/c25-16-4-3-12-8-15-14-7-13-9-22-23-18(13)20-21(14,17(12)19(16)26-20)5-6-24(15)10-11-1-2-11/h3-4,9,11,14-15,20,25H,1-2,5-8,10H2,(H,22,23)/t14-,15+,20-,21-/m0/s1
    MOLECULAR FORMULA
    C21H23N3O2
    CROSS REFERENCES
    1989697 logo

    canSAR1989697

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.18
    AlogP 2.70
    HBond donors 2
    HBond acceptors 5
    Atoms 49
    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 canSAR1989697.