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canSAR1085401
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCOc1nc(N)nc2c1ncn2CC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
    InChI
    InChI=1S/C28H40N6O4/c1-3-5-6-7-8-9-10-14-17-38-26-24-25(32-28(29)33-26)34(20-30-24)19-23(35)31-22(27(36)37-4-2)18-21-15-12-11-13-16-21/h11-13,15-16,20,22H,3-10,14,17-19H2,1-2H3,(H,31,35)(H2,29,32,33)/t22-/m0/s1
    MOLECULAR FORMULA
    C28H40N6O4
    CROSS REFERENCES
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    canSAR1085401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.31
    AlogP 4.22
    HBond donors 3
    HBond acceptors 10
    Atoms 78
    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 canSAR1085401.