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canSAR1953867
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NAMES
    SMILES
    O=C(NCCN(CCNC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1)CCNC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1
    InChI
    InChI=1S/C39H36Cl3N13O6/c40-22-1-7-25(8-2-22)52-37(59)31-28(46-19-49-31)34(56)43-13-16-55(17-14-44-35(57)29-32(50-20-47-29)38(60)53-26-9-3-23(41)4-10-26)18-15-45-36(58)30-33(51-21-48-30)39(61)54-27-11-5-24(42)6-12-27/h1-12,19-21H,13-18H2,(H,43,56)(H,44,57)(H,45,58)(H,46,49)(H,47,50)(H,48,51)(H,52,59)(H,53,60)(H,54,61)
    MOLECULAR FORMULA
    C39H36Cl3N13O6
    CROSS REFERENCES
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    canSAR1953867

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 887.20
    AlogP 4.46
    HBond donors 9
    HBond acceptors 19
    Atoms 97
    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 canSAR1953867.