canSAR818481
FEATURES
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NAMES
    SMILES
    C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)C4)[C@@H](CCC(=O)NCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)[C@@H]3C
    InChI
    InChI=1S/C45H49N9O5/c1-7-27-23(3)32-20-34-25(5)29(13-16-40(56)47-18-12-10-9-11-17-46-31-14-15-38(54(57)58)45-44(31)52-59-53-45)42(50-34)30-19-39(55)41-26(6)35(51-43(30)41)22-37-28(8-2)24(4)33(49-37)21-36(27)48-32/h7,14-15,20-22,25,29,46,48-49H,1,8-13,16-19H2,2-6H3,(H,47,56)/b32-20-,33-21-,34-20-,35-22-,36-21-,37-22-,42-30-/t25-,29-/m0/s1
    MOLECULAR FORMULA
    C45H49N9O5
    CROSS REFERENCES
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    canSAR818481
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight795.39
    AlogP9.09
    HBond donors4
    HBond acceptors14
    Atoms108
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818481.