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canSAR1205702
FEATURES
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NAMES
    SMILES
    C=CCN(CC=C)[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O
    InChI
    InChI=1S/C42H60Cl2N6O7/c1-9-21-50(22-10-2)35(27-30-13-17-32(51)18-14-30)37(53)47-42(7,8)40(57)48-41(5,6)39(56)46-33(36(52)45-34(38(54)55)25-28(3)4)26-29-11-15-31(16-12-29)49(23-19-43)24-20-44/h9-18,28,33-35,51H,1-2,19-27H2,3-8H3,(H,45,52)(H,46,56)(H,47,53)(H,48,57)(H,54,55)/t33-,34-,35-/m0/s1
    MOLECULAR FORMULA
    C42H60Cl2N6O7
    CROSS REFERENCES
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    canSAR1205702

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 830.39
    AlogP 4.39
    HBond donors 6
    HBond acceptors 13
    Atoms 117
    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 canSAR1205702.