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canSAR6528
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O
    InChI
    InChI=1S/C55H63N11O11/c1-30(61-51(72)45(23-32-27-58-40-13-5-2-10-36(32)40)65-52(73)44(22-31-17-19-35(67)20-18-31)64-50(71)39(57)26-48(68)69)49(70)63-46(24-33-28-59-41-14-6-3-11-37(33)41)54(75)66-47(25-34-29-60-42-15-7-4-12-38(34)42)53(74)62-43(55(76)77)16-8-9-21-56/h2-7,10-15,17-20,27-30,39,43-47,58-60,67H,8-9,16,21-26,56-57H2,1H3,(H,61,72)(H,62,74)(H,63,70)(H,64,71)(H,65,73)(H,66,75)(H,68,69)(H,76,77)/t30-,39-,43-,44-,45+,46+,47+/m0/s1
    MOLECULAR FORMULA
    C55H63N11O11
    CROSS REFERENCES
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    canSAR6528

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1053.47
    AlogP 2.05
    HBond donors 16
    HBond acceptors 22
    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 canSAR6528.