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canSAR779933
FEATURES
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NAMES
    SMILES
    CC[C@H](C)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC
    InChI
    InChI=1S/C45H66N12O6/c1-6-27(3)26-52-41(61)35(14-10-22-50-44(46)47)56-39(59)29(5)53-43(63)38(28(4)7-2)57-42(62)36(15-11-23-51-45(48)49)55-37(58)24-30-16-20-34(21-17-30)54-40(60)33-19-18-31-12-8-9-13-32(31)25-33/h8-9,12-13,16-21,25,27-29,35-36,38H,6-7,10-11,14-15,22-24,26H2,1-5H3,(H,52,61)(H,53,63)(H,54,60)(H,55,58)(H,56,59)(H,57,62)(H4,46,47,50)(H4,48,49,51)/t27-,28-,29-,35-,36-,38-/m0/s1
    MOLECULAR FORMULA
    C45H66N12O6
    CROSS REFERENCES
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    canSAR779933

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 870.52
    AlogP 1.91
    HBond donors 14
    HBond acceptors 18
    Atoms 129
    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 canSAR779933.