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canSAR786450
FEATURES
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NAMES
    SMILES
    COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2c2cccnc2)C(=O)O)cc1
    InChI
    InChI=1S/C27H29N3O5/c1-34-23-8-3-9-24(35-2)25(23)19-12-10-18(11-13-19)16-21(27(32)33)29-26(31)22-7-5-15-30(22)20-6-4-14-28-17-20/h3-4,6,8-14,17,21-22H,5,7,15-16H2,1-2H3,(H,29,31)(H,32,33)/t21-,22-/m0/s1
    MOLECULAR FORMULA
    C27H29N3O5
    CROSS REFERENCES
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    canSAR786450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.21
    AlogP 3.55
    HBond donors 2
    HBond acceptors 8
    Atoms 64
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR786450.