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canSAR1116363
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NAMES
    SMILES
    Cc1c2ccc(N)cc2nc2cc(-n3c(/C=C/c4ccccc4)nc4sc5c(c4c3=O)CCCC5)ccc12
    InChI
    InChI=1S/C32H26N4OS/c1-19-23-14-12-21(33)17-26(23)34-27-18-22(13-15-24(19)27)36-29(16-11-20-7-3-2-4-8-20)35-31-30(32(36)37)25-9-5-6-10-28(25)38-31/h2-4,7-8,11-18H,5-6,9-10,33H2,1H3/b16-11+
    MOLECULAR FORMULA
    C32H26N4OS
    CROSS REFERENCES
    1116363 logo

    canSAR1116363

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.18
    AlogP 7.09
    HBond donors 2
    HBond acceptors 5
    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 canSAR1116363.