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canSAR1063706
FEATURES
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NAMES
    SMILES
    CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)C(C)(C)c2ccccc2/N=N/c2ccc(O)c(C(=O)O)c2)O1
    InChI
    InChI=1S/C42H48N2O10/c1-6-9-35-53-34-20-29-26-14-12-23-18-25(45)16-17-40(23,4)36(26)32(47)21-41(29,5)42(34,54-35)33(48)22-52-38(51)39(2,3)28-10-7-8-11-30(28)44-43-24-13-15-31(46)27(19-24)37(49)50/h7-8,10-11,13,15-19,26,29,32,34-36,46-47H,6,9,12,14,20-22H2,1-5H3,(H,49,50)/b44-43+/t26-,29-,32-,34+,35?,36+,40-,41-,42+/m0/s1
    MOLECULAR FORMULA
    C42H48N2O10
    CROSS REFERENCES
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    canSAR1063706

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 740.33
    AlogP 7.06
    HBond donors 3
    HBond acceptors 12
    Atoms 102
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1063706.