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canSAR1129970
FEATURES
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NAMES
    SMILES
    CN1CCC2=C[C@H](OC(=O)c3ccc(C(=O)O[C@H]4C=C5CCN(C)[C@H]5[C@@H]5c6cc7c(cc6C(=O)O[C@H]45)OCO7)cc3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5
    InChI
    InChI=1S/C42H36N2O12/c1-43-9-7-21-11-31(37-33(35(21)43)23-13-27-29(51-17-49-27)15-25(23)41(47)55-37)53-39(45)19-3-5-20(6-4-19)40(46)54-32-12-22-8-10-44(2)36(22)34-24-14-28-30(52-18-50-28)16-26(24)42(48)56-38(32)34/h3-6,11-16,31-38H,7-10,17-18H2,1-2H3/t31-,32-,33-,34-,35+,36+,37+,38+/m0/s1
    MOLECULAR FORMULA
    C42H36N2O12
    CROSS REFERENCES
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    canSAR1129970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 760.23
    AlogP 4.13
    HBond donors 0
    HBond acceptors 14
    Atoms 92
    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 canSAR1129970.