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canSAR75210
FEATURES
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NAMES
    SMILES
    O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(C(=O)N4CCCCCC4)s3)n[nH]c1-2)NN1CCOCC1
    InChI
    InChI=1S/C26H28N6O4S/c33-24-20-16(6-5-7-17(20)27-26(35)30-32-12-14-36-15-13-32)22-21(24)23(29-28-22)18-8-9-19(37-18)25(34)31-10-3-1-2-4-11-31/h5-9H,1-4,10-15H2,(H,28,29)(H2,27,30,35)
    MOLECULAR FORMULA
    C26H28N6O4S
    CROSS REFERENCES
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    canSAR75210

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.19
    AlogP 3.73
    HBond donors 3
    HBond acceptors 10
    Atoms 65
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR75210.