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canSAR163272
FEATURES
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NAMES
    SMILES
    CCCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O
    InChI
    InChI=1S/C47H67N9O7/c1-3-4-20-36(42(49)58)52-45(61)40(28-33-29-50-35-21-12-11-19-34(33)35)54-44(60)39(27-32-17-9-6-10-18-32)55-46(62)41-23-14-25-56(41)47(63)37(22-13-24-48)53-43(59)38(51-30(2)57)26-31-15-7-5-8-16-31/h5,7-8,11-12,15-16,19,21,29,32,36-41,50H,3-4,6,9-10,13-14,17-18,20,22-28,48H2,1-2H3,(H2,49,58)(H,51,57)(H,52,61)(H,53,59)(H,54,60)(H,55,62)/t36-,37+,38+,39-,40-,41+/m1/s1
    MOLECULAR FORMULA
    C47H67N9O7
    CROSS REFERENCES
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    canSAR163272

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 869.52
    AlogP 2.77
    HBond donors 10
    HBond acceptors 16
    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 canSAR163272.