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canSAR1111482
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NAMES
    SMILES
    Nc1ccccc1-c1ccc(Cn2cncc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1
    InChI
    InChI=1S/C36H29N5S/c37-33-11-5-4-10-30(33)27-16-14-25(15-17-27)23-41-24-38-21-29(41)22-39-28-18-19-31(32(20-28)26-8-2-1-3-9-26)36-40-34-12-6-7-13-35(34)42-36/h1-21,24,39H,22-23,37H2
    MOLECULAR FORMULA
    C36H29N5S
    CROSS REFERENCES
    1111482 logo

    canSAR1111482

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 563.21
    AlogP 8.74
    HBond donors 3
    HBond acceptors 5
    Atoms 71
    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 canSAR1111482.