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canSAR660282
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NAMES
    SMILES
    Cl.Cl.NC(N)=NCCCCCCCC(=O)Nc1ccc(OCCCN=C(N)N)cc1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
    InChI
    InChI=1S/C32H41FN8O4.2ClH/c33-22-8-12-24(13-9-22)45-25-14-10-23(11-15-25)40-30(43)27-21-26(44-20-6-19-39-32(36)37)16-17-28(27)41-29(42)7-4-2-1-3-5-18-38-31(34)35;;/h8-17,21H,1-7,18-20H2,(H,40,43)(H,41,42)(H4,34,35,38)(H4,36,37,39);2*1H
    MOLECULAR FORMULA
    C32H43Cl2FN8O4
    CROSS REFERENCES
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    canSAR660282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 692.28
    AlogP 5.31
    HBond donors 10
    HBond acceptors 12
    Atoms 90
    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 canSAR660282.