829876 logo
canSAR829876
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCCc3ccccc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](OC(=O)NCCc2ccc(O)cc2)[C@]1(C)O
    InChI
    InChI=1S/C56H89ClN4O15/c1-15-43-56(10,68)48(75-52(65)58-26-24-38-20-22-40(62)23-21-38)36(6)61(13)31-32(2)29-54(8,67)47(74-51-45(63)42(60(11)12)28-33(3)70-51)34(4)46(35(5)50(64)72-43)73-44-30-55(9,69-14)49(37(7)71-44)76-53(66)59-27-25-39-18-16-17-19-41(39)57/h16-23,32-37,42-49,51,62-63,67-68H,15,24-31H2,1-14H3,(H,58,65)(H,59,66)/t32-,33-,34+,35-,36-,37+,42+,43-,44+,45-,46+,47-,48-,49+,51+,54+,55-,56-/m1/s1
    MOLECULAR FORMULA
    C56H89ClN4O15
    CROSS REFERENCES
    829876 logo

    canSAR829876

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1092.60
    AlogP 6.21
    HBond donors 6
    HBond acceptors 19
    Atoms 165
    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 canSAR829876.