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canSAR101635
FEATURES
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NAMES
    SMILES
    CCCC(NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC(C)C
    InChI
    InChI=1S/C39H54N8O8/c1-8-11-28(33(48)37(52)42-24(6)7)43-35(50)30-18-27(55-39(54)46-17-14-25-12-9-10-13-26(25)20-46)21-47(30)38(53)32(23(4)5)45-36(51)31(22(2)3)44-34(49)29-19-40-15-16-41-29/h9-10,12-13,15-16,19,22-24,27-28,30-32H,8,11,14,17-18,20-21H2,1-7H3,(H,42,52)(H,43,50)(H,44,49)(H,45,51)/t27-,28?,30+,31-,32-/m1/s1
    MOLECULAR FORMULA
    C39H54N8O8
    CROSS REFERENCES
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    canSAR101635

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 762.41
    AlogP 1.91
    HBond donors 4
    HBond acceptors 16
    Atoms 109
    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 canSAR101635.