canSAR2101084
FEATURES
Loading...
NAMES
    SMILES
    C=C[C@H]1C[C@@]1(N=C(O)[C@H]1C[C@]2(CN1C(=O)[C@H](N=C(O)[C@H](N=C(O)[C@H]1Cc3nc[nH]c3CN1)C(C)(C)C)C(C)(C)C)C(C)(C)C21CCC1)C(O)=NS(=O)(=O)N1CCCC1
    InChI
    InChI=1S/C41H63N9O7S/c1-10-24-19-41(24,35(55)48-58(56,57)49-16-11-12-17-49)47-32(52)28-20-40(38(8,9)39(40)14-13-15-39)22-50(28)34(54)30(37(5,6)7)46-33(53)29(36(2,3)4)45-31(51)26-18-25-27(21-42-26)44-23-43-25/h10,23-24,26,28-30,42H,1,11-22H2,2-9H3,(H,43,44)(H,45,51)(H,46,53)(H,47,52)(H,48,55)/t24-,26+,28+,29-,30-,40-,41-/m0/s1
    MOLECULAR FORMULA
    C41H63N9O7S
    CROSS REFERENCES
    Loading...
    canSAR2101084
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight825.46
    AlogP5.16
    HBond donors6
    HBond acceptors16
    Atoms121
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2101084.