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canSAR1432290
FEATURES
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NAMES
    SMILES
    O=C(CCCCCNC(=O)N1CCn2c1nc1ccccc12)N[C@@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C25H29N5O4/c31-22(27-20(23(32)33)17-18-9-3-1-4-10-18)13-5-2-8-14-26-25(34)30-16-15-29-21-12-7-6-11-19(21)28-24(29)30/h1,3-4,6-7,9-12,20H,2,5,8,13-17H2,(H,26,34)(H,27,31)(H,32,33)/t20-/m0/s1
    MOLECULAR FORMULA
    C25H29N5O4
    CROSS REFERENCES
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    canSAR1432290

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.22
    AlogP 2.94
    HBond donors 3
    HBond acceptors 9
    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 canSAR1432290.