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canSAR1269552
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NO)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21
    InChI
    InChI=1S/C26H31N3O/c1-25-13-11-18(28-30)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)29-16-27-22-5-3-4-6-23(22)29/h3-6,10,15-16,19-21,30H,7-9,11-14H2,1-2H3/t19-,20-,21-,25-,26-/m0/s1
    MOLECULAR FORMULA
    C26H31N3O
    CROSS REFERENCES
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    canSAR1269552

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.25
    AlogP 6.28
    HBond donors 1
    HBond acceptors 4
    Atoms 61
    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 canSAR1269552.