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canSAR785252
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1OCCCCCn1c(-c3ccco3)nc3ccccc31)N=C[C@@H]1CCCN1C2=O
    InChI
    InChI=1S/C29H30N4O4/c1-35-26-17-21-23(30-19-20-9-7-14-32(20)29(21)34)18-27(26)37-15-6-2-5-13-33-24-11-4-3-10-22(24)31-28(33)25-12-8-16-36-25/h3-4,8,10-12,16-20H,2,5-7,9,13-15H2,1H3/t20-/m0/s1
    MOLECULAR FORMULA
    C29H30N4O4
    CROSS REFERENCES
    785252 logo

    canSAR785252

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.23
    AlogP 5.87
    HBond donors 0
    HBond acceptors 8
    Atoms 67
    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 canSAR785252.