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canSAR1203524
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(N(CCCl)CCCl)cc1
    InChI
    InChI=1S/C44H62Cl2N8O8/c1-29(2)25-33(50-41(59)36-14-10-22-54(36)42(60)34(26-30-11-7-6-8-12-30)51-43(61)62-44(3,4)5)39(57)48-28-38(56)53-21-9-13-35(53)40(58)47-27-37(55)49-31-15-17-32(18-16-31)52(23-19-45)24-20-46/h6-8,11-12,15-18,29,33-36H,9-10,13-14,19-28H2,1-5H3,(H,47,58)(H,48,57)(H,49,55)(H,50,59)(H,51,61)/t33-,34+,35-,36-/m0/s1
    MOLECULAR FORMULA
    C44H62Cl2N8O8
    CROSS REFERENCES
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    canSAR1203524

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 900.41
    AlogP 3.79
    HBond donors 5
    HBond acceptors 16
    Atoms 124
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1203524.