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canSAR2001190
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[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](CCCN)NC1=O
    InChI
    InChI=1S/C49H73N17O9/c1-28(67)60-34(17-9-23-57-48(52)53)42(70)64-37-19-20-40(68)56-22-8-16-33(41(51)69)61-47(75)39(26-30-27-59-32-14-6-5-13-31(30)32)66-44(72)36(18-10-24-58-49(54)55)63-46(74)38(25-29-11-3-2-4-12-29)65-43(71)35(15-7-21-50)62-45(37)73/h2-6,11-14,27,33-39,59H,7-10,15-26,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,73)(H,63,74)(H,64,70)(H,65,71)(H,66,72)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/m0/s1
    MOLECULAR FORMULA
    C49H73N17O9
    CROSS REFERENCES
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    canSAR2001190

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1043.58
    AlogP -3.19
    HBond donors 21
    HBond acceptors 26
    Atoms 148
    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 canSAR2001190.