1014820 logo
canSAR1014820
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOC(=O)c1cn(C2CC2)c2ccc(C#CCN3CCN(CCC(=O)O[C@H]4[C@H](C)O[C@@H](O[C@H]5[C@H](C)[C@@H](O[C@@H]6O[C@H](C)C[C@H](N(C)C)[C@H]6O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](OC)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]5C)C[C@@]4(C)OC)CC3)cc2c1=O
    InChI
    InChI=1S/C64H101N5O16/c1-17-50-64(11,76)57(77-15)42(7)66(14)36-38(3)34-62(9,75)56(85-61-54(72)49(65(12)13)32-39(4)80-61)40(5)55(41(6)59(73)82-50)84-52-35-63(10,78-16)58(43(8)81-52)83-51(70)25-27-68-30-28-67(29-31-68)26-19-20-44-21-24-48-46(33-44)53(71)47(60(74)79-18-2)37-69(48)45-22-23-45/h21,24,33,37-43,45,49-50,52,54-58,61,72,75-76H,17-18,22-23,25-32,34-36H2,1-16H3/t38-,39-,40+,41-,42-,43+,49+,50-,52+,54-,55+,56-,57-,58+,61+,62-,63-,64-/m1/s1
    MOLECULAR FORMULA
    C64H101N5O16
    CROSS REFERENCES
    1014820 logo

    canSAR1014820

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1195.72
    AlogP 4.99
    HBond donors 3
    HBond acceptors 21
    Atoms 186
    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 canSAR1014820.