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canSAR1122302
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
    InChI
    InChI=1S/C36H56N10O11/c1-19(2)30(45-29(50)18-41-31(51)22(38)17-28(40)49)34(54)43-24(12-13-27(39)48)35(55)46-15-5-7-26(46)33(53)42-23(6-3-4-14-37)32(52)44-25(36(56)57)16-20-8-10-21(47)11-9-20/h8-11,19,22-26,30,47H,3-7,12-18,37-38H2,1-2H3,(H2,39,48)(H2,40,49)(H,41,51)(H,42,53)(H,43,54)(H,44,52)(H,45,50)(H,56,57)/t22-,23-,24-,25-,26-,30-/m0/s1
    MOLECULAR FORMULA
    C36H56N10O11
    CROSS REFERENCES
    1122302 logo

    canSAR1122302

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 804.41
    AlogP -3.68
    HBond donors 15
    HBond acceptors 21
    Atoms 113
    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 canSAR1122302.