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canSAR829931
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C51H62N14O7/c1-31(2)18-40(47(68)64-43(23-36-26-55-29-58-36)49(70)60-39(45(53)66)20-33-14-8-4-9-15-33)62-51(72)44(24-37-27-56-30-59-37)65-48(69)41(21-34-16-10-5-11-17-34)63-50(71)42(22-35-25-54-28-57-35)61-46(67)38(52)19-32-12-6-3-7-13-32/h3-17,25-31,38-44H,18-24,52H2,1-2H3,(H2,53,66)(H,54,57)(H,55,58)(H,56,59)(H,60,70)(H,61,67)(H,62,72)(H,63,71)(H,64,68)(H,65,69)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
    MOLECULAR FORMULA
    C51H62N14O7
    CROSS REFERENCES
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    canSAR829931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 982.49
    AlogP 0.38
    HBond donors 13
    HBond acceptors 21
    Atoms 134
    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 canSAR829931.