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canSAR835119
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(C(=O)NCCC(=O)O[C@H]5C[C@H]6OC[C@@]6(OC(C)=O)[C@H]6[C@H](OC(=O)c7ccccc7)[C@]7(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c8ccccc8)c8ccccc8)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]56C)C7(C)C)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C78H79N3O23/c1-39-55(101-74(92)65(86)62(42-18-12-9-13-19-42)81-71(89)43-20-14-10-15-21-43)35-78(93)69(103-72(90)45-22-16-11-17-23-45)67-76(6,68(87)66(100-40(2)82)61(39)75(78,4)5)56(34-57-77(67,37-97-57)104-41(3)83)102-58(84)28-29-79-70(88)44-24-26-47(27-25-44)80-63-49-33-52-51(98-38-99-52)32-48(49)59(60-50(63)36-96-73(60)91)46-30-53(94-7)64(85)54(31-46)95-8/h9-27,30-33,50,55-57,59-60,62-63,65-67,69,80,85-86,93H,28-29,34-38H2,1-8H3,(H,79,88)(H,81,89)/t50-,55-,56-,57+,59+,60-,62-,63+,65+,66+,67-,69-,76+,77-,78+/m0/s1
    MOLECULAR FORMULA
    C78H79N3O23
    CROSS REFERENCES
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    canSAR835119

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1425.51
    AlogP 7.65
    HBond donors 6
    HBond acceptors 26
    Atoms 183
    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 canSAR835119.