831261 logo
canSAR831261
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N2CCCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
    InChI
    InChI=1S/C53H92N10O21/c1-20(2)33(47(75)57-26(11)51(79)80)60-49(77)35(22(5)6)61-48(76)34(21(3)4)59-44(72)25(10)55-43(71)24(9)56-45(73)29-16-14-15-17-63(29)50(78)36(23(7)8)62-46(74)32(54)27(12)81-52-37(58-28(13)66)42(39(68)31(19-65)82-52)84-53-41(70)40(69)38(67)30(18-64)83-53/h20-27,29-42,52-53,64-65,67-70H,14-19,54H2,1-13H3,(H,55,71)(H,56,73)(H,57,75)(H,58,66)(H,59,72)(H,60,77)(H,61,76)(H,62,74)(H,79,80)/t24-,25-,26-,27+,29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39-,40-,41+,42+,52-,53-/m0/s1
    MOLECULAR FORMULA
    C53H92N10O21
    CROSS REFERENCES
    831261 logo

    canSAR831261

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1204.64
    AlogP -5.97
    HBond donors 17
    HBond acceptors 31
    Atoms 176
    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 canSAR831261.