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canSAR985230
FEATURES
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NAMES
    SMILES
    C[C@@H]1N[C@H](C(=O)NNC(=O)[C@@H](N)CCC(=O)OCc2ccccc2)Cc2c1[nH]c1ccccc21
    InChI
    InChI=1S/C25H29N5O4/c1-15-23-18(17-9-5-6-10-20(17)28-23)13-21(27-15)25(33)30-29-24(32)19(26)11-12-22(31)34-14-16-7-3-2-4-8-16/h2-10,15,19,21,27-28H,11-14,26H2,1H3,(H,29,32)(H,30,33)/t15-,19-,21-/m0/s1
    MOLECULAR FORMULA
    C25H29N5O4
    CROSS REFERENCES
    985230 logo

    canSAR985230

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.22
    AlogP 1.74
    HBond donors 6
    HBond acceptors 9
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR985230.