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canSAR2090912
FEATURES
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NAMES
    SMILES
    CC1=N[C@@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC1CC1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H28N4O2.C2HF3O2/c1-12-19-18(17(24)22(12)8-13-4-5-13)7-6-14-9-21(10-15(14)18)11-16(23)20(2)3;3-2(4,5)1(6)7/h13-15H,4-11H2,1-3H3;(H,6,7)/t14-,15+,18-;/m1./s1
    MOLECULAR FORMULA
    C20H29F3N4O4
    CROSS REFERENCES
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    canSAR2090912

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.21
    AlogP 1.46
    HBond donors 1
    HBond acceptors 8
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2090912.