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canSAR467619
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
    InChI
    InChI=1S/C45H69N13O9/c1-25(2)21-31(46)39(63)55-33(14-10-20-52-45(49)50)42(66)56-32(13-9-19-51-44(47)48)41(65)54-27(5)38(62)57-35(43(67)58-34(22-26(3)4)40(64)53-24-36(59)60)23-28-15-17-30(18-16-28)37(61)29-11-7-6-8-12-29/h6-8,11-12,15-18,25-27,31-35H,9-10,13-14,19-24,46H2,1-5H3,(H,53,64)(H,54,65)(H,55,63)(H,56,66)(H,57,62)(H,58,67)(H,59,60)(H4,47,48,51)(H4,49,50,52)/t27-,31-,32-,33-,34-,35-/m0/s1
    MOLECULAR FORMULA
    C45H69N13O9
    CROSS REFERENCES
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    canSAR467619

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 935.53
    AlogP -1.37
    HBond donors 17
    HBond acceptors 22
    Atoms 136
    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 canSAR467619.