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canSAR1589643
FEATURES
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NAMES
    SMILES
    CCn1nc(C)cc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1cccnc1)[C@@H]2O
    InChI
    InChI=1S/C26H29N5O3/c1-3-31-21(15-17(2)29-31)25(34)30-13-10-26(11-14-30)20-9-5-4-8-19(20)22(23(26)32)28-24(33)18-7-6-12-27-16-18/h4-9,12,15-16,22-23,32H,3,10-11,13-14H2,1-2H3,(H,28,33)/t22-,23+/m1/s1
    MOLECULAR FORMULA
    C26H29N5O3
    CROSS REFERENCES
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    canSAR1589643

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.23
    AlogP 2.63
    HBond donors 2
    HBond acceptors 8
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1589643.