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canSAR1125477
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)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
    InChI
    InChI=1S/C49H60ClN11O9/c1-28(42(51)63)55-47(68)41-14-9-23-61(41)48(69)37(13-8-22-54-49(52)70)58-43(64)29(2)56-44(65)40(27-36-12-6-7-21-53-36)60-46(67)39(25-31-16-19-35(50)20-17-31)59-45(66)38(57-30(3)62)26-32-15-18-33-10-4-5-11-34(33)24-32/h4-7,10-12,15-21,24,28-29,37-41H,8-9,13-14,22-23,25-27H2,1-3H3,(H2,51,63)(H,55,68)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,60,67)(H3,52,54,70)/t28-,29-,37+,38-,39-,40-,41+/m1/s1
    MOLECULAR FORMULA
    C49H60ClN11O9
    CROSS REFERENCES
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    canSAR1125477

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 981.43
    AlogP 0.81
    HBond donors 11
    HBond acceptors 20
    Atoms 130
    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 canSAR1125477.