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canSAR2020260
FEATURES
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NAMES
    SMILES
    CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O
    InChI
    InChI=1S/C58H79N15O9/c1-7-8-19-44(67-35(2)74)52(77)69-45-31-50(75)63-25-14-13-21-43(51(59)76)68-53(78)47(29-39-32-65-42-20-12-11-18-41(39)42)71(4)55(80)46(22-15-26-64-58(60)61)70(3)56(81)48(28-36-23-24-37-16-9-10-17-38(37)27-36)73(6)57(82)49(72(5)54(45)79)30-40-33-62-34-66-40/h9-12,16-18,20,23-24,27,32-34,43-49,65H,7-8,13-15,19,21-22,25-26,28-31H2,1-6H3,(H2,59,76)(H,62,66)(H,63,75)(H,67,74)(H,68,78)(H,69,77)(H4,60,61,64)/t43-,44+,45-,46-,47-,48+,49-/m0/s1
    MOLECULAR FORMULA
    C58H79N15O9
    CROSS REFERENCES
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    canSAR2020260

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1129.62
    AlogP 1.48
    HBond donors 12
    HBond acceptors 24
    Atoms 161
    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 canSAR2020260.