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canSAR144337
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccn1)C(=O)NCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
    InChI
    InChI=1S/C49H61ClN12O8/c1-29(43(51)65)57-47(69)41-13-8-24-62(41)48(70)37(12-7-22-56-49(52)53)59-42(64)20-23-55-44(66)40(28-36-11-5-6-21-54-36)61-46(68)39(26-31-15-18-35(50)19-16-31)60-45(67)38(58-30(2)63)27-32-14-17-33-9-3-4-10-34(33)25-32/h3-6,9-11,14-19,21,25,29,37-41H,7-8,12-13,20,22-24,26-28H2,1-2H3,(H2,51,65)(H,55,66)(H,57,69)(H,58,63)(H,59,64)(H,60,67)(H,61,68)(H4,52,53,56)/t29-,37+,38-,39+,40+,41+/m0/s1
    MOLECULAR FORMULA
    C49H61ClN12O8
    CROSS REFERENCES
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    canSAR144337

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 980.44
    AlogP 0.42
    HBond donors 12
    HBond acceptors 20
    Atoms 131
    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 canSAR144337.