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canSAR1204087
FEATURES
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NAMES
    SMILES
    CCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC
    InChI
    InChI=1S/C56H88N14O7/c1-4-6-7-8-9-10-11-28-48(71)65-44(27-20-31-62-56(60)61)52(74)70-49(36(3)5-2)55(77)67-45(26-17-19-30-58)51(73)68-47(33-38-35-64-42-24-15-13-22-40(38)42)54(76)69-46(32-37-34-63-41-23-14-12-21-39(37)41)53(75)66-43(50(59)72)25-16-18-29-57/h12-15,21-24,34-36,43-47,49,63-64H,4-11,16-20,25-33,57-58H2,1-3H3,(H2,59,72)(H,65,71)(H,66,75)(H,67,77)(H,68,73)(H,69,76)(H,70,74)(H4,60,61,62)/t36-,43-,44-,45-,46-,47-,49-/m0/s1
    MOLECULAR FORMULA
    C56H88N14O7
    CROSS REFERENCES
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    canSAR1204087

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1068.70
    AlogP 3.54
    HBond donors 18
    HBond acceptors 21
    Atoms 165
    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 canSAR1204087.