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canSAR1130110
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CCCCCOc3ccc5nc(C)n(-c6cc(OC)c(OC)c(OC)c6)c(=O)c5c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC
    InChI
    InChI=1S/C46H49N3O13/c1-24-47-32-13-12-27(19-30(32)45(51)49(24)26-17-37(55-4)44(58-7)38(18-26)56-5)59-14-10-8-9-11-39(50)48-42-29-21-34-33(61-23-62-34)20-28(29)40(41-31(42)22-60-46(41)52)25-15-35(53-2)43(57-6)36(16-25)54-3/h12-13,15-21,31,40-42H,8-11,14,22-23H2,1-7H3,(H,48,50)/t31-,40+,41-,42+/m0/s1
    MOLECULAR FORMULA
    C46H49N3O13
    CROSS REFERENCES
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    canSAR1130110

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 851.33
    AlogP 6.21
    HBond donors 1
    HBond acceptors 16
    Atoms 111
    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 canSAR1130110.