777543 logo
canSAR777543
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CNC(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)[C@H]([C@@H](O)[C@@H]2CNC(N)N2)NC(=O)[C@@H](Cc2ccc(O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](COC(=O)Cc5ccccc5)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)cc2)NC1=O
    InChI
    InChI=1S/C62H88N12O26/c1-25(28-10-6-3-7-11-28)39-55(92)68-30(16-27-12-14-29(15-13-27)96-59-51(89)48(86)52(35(23-77)98-59)100-60-50(88)47(85)45(83)36(99-60)24-95-38(79)17-26-8-4-2-5-9-26)54(91)72-40(42(80)31-18-66-61(63)70-31)57(94)73-41(56(93)69-32(21-75)53(90)65-20-37(78)71-39)43(81)33-19-67-62(64)74(33)58-49(87)46(84)44(82)34(22-76)97-58/h2-15,25,30-36,39-52,58-62,66-67,70,75-77,80-89H,16-24,63-64H2,1H3,(H,65,90)(H,68,92)(H,69,93)(H,71,78)(H,72,91)(H,73,94)/t25-,30+,31-,32-,33-,34+,35+,36+,39-,40-,41+,42-,43-,44+,45+,46-,47-,48+,49-,50-,51-,52+,58-,59-,60+,61?,62?/m0/s1
    MOLECULAR FORMULA
    C62H88N12O26
    CROSS REFERENCES
    777543 logo

    canSAR777543

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1416.59
    AlogP -12.78
    HBond donors 26
    HBond acceptors 38
    Atoms 188
    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 canSAR777543.