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canSAR1533848
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O
    InChI
    InChI=1S/C47H68N16O9/c1-26-40(67)61-35(22-28-12-4-3-5-13-28)44(71)60-34(18-11-21-55-47(51)52)42(69)62-36(23-29-25-56-31-15-7-6-14-30(29)31)45(72)59-32(39(48)66)16-8-9-19-53-38(65)24-37(43(70)57-26)63-41(68)33(58-27(2)64)17-10-20-54-46(49)50/h3-7,12-15,25-26,32-37,56H,8-11,16-24H2,1-2H3,(H2,48,66)(H,53,65)(H,57,70)(H,58,64)(H,59,72)(H,60,71)(H,61,67)(H,62,69)(H,63,68)(H4,49,50,54)(H4,51,52,55)/t26-,32-,33+,34-,35+,36-,37-/m0/s1
    MOLECULAR FORMULA
    C47H68N16O9
    CROSS REFERENCES
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    canSAR1533848

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1000.54
    AlogP -2.91
    HBond donors 19
    HBond acceptors 25
    Atoms 140
    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 canSAR1533848.