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canSAR780591
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1OCCCCOc1ccc(-c3nc4ccccc4s3)cc1)N=C[C@@H]1CCCN1C2=O
    InChI
    InChI=1S/C30H29N3O4S/c1-35-26-17-23-25(31-19-21-7-6-14-33(21)30(23)34)18-27(26)37-16-5-4-15-36-22-12-10-20(11-13-22)29-32-24-8-2-3-9-28(24)38-29/h2-3,8-13,17-19,21H,4-7,14-16H2,1H3/t21-/m0/s1
    MOLECULAR FORMULA
    C30H29N3O4S
    CROSS REFERENCES
    780591 logo

    canSAR780591

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.19
    AlogP 6.53
    HBond donors 0
    HBond acceptors 7
    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 canSAR780591.