canSAR209576
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCN[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CN[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)OC)C(C)C)C(C)C
    InChI
    InChI=1S/C45H88N14O8/c1-8-9-10-11-12-13-14-17-24-51-33(22-19-26-53-45(49)50)40(63)59-38(30(4)5)43(66)57-34(20-15-16-23-46)41(64)56-32(21-18-25-52-44(47)48)35(60)27-54-31(6)39(62)58-37(29(2)3)42(65)55-28-36(61)67-7/h29-34,37-38,51,54H,8-28,46H2,1-7H3,(H,55,65)(H,56,64)(H,57,66)(H,58,62)(H,59,63)(H4,47,48,52)(H4,49,50,53)/t31-,32-,33-,34-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C45H88N14O8
    CROSS REFERENCES
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    canSAR209576
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight952.69
    AlogP-0.59
    HBond donors17
    HBond acceptors22
    Atoms155
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR209576.