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canSAR227917
FEATURES
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NAMES
    SMILES
    NCCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(N)=O
    InChI
    InChI=1S/C50H59N11O6/c51-23-13-12-22-40(45(53)62)57-47(64)41(24-32-14-4-1-5-15-32)59-48(65)42(25-33-16-6-2-7-17-33)60-49(66)43(26-34-18-8-3-9-19-34)61-50(67)44(27-35-29-55-39-21-11-10-20-37(35)39)58-46(63)38(52)28-36-30-54-31-56-36/h1-11,14-21,29-31,38,40-44,55H,12-13,22-28,51-52H2,(H2,53,62)(H,54,56)(H,57,64)(H,58,63)(H,59,65)(H,60,66)(H,61,67)/t38-,40+,41+,42+,43+,44-/m0/s1
    MOLECULAR FORMULA
    C50H59N11O6
    CROSS REFERENCES
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    canSAR227917

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 909.46
    AlogP 1.77
    HBond donors 13
    HBond acceptors 17
    Atoms 126
    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 canSAR227917.