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canSAR1151602
FEATURES
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NAMES
    SMILES
    C[C@H]1C2C(CC3C4CC[C@H]5C[C@@H](O[C@@H]6O[C@@H](COC(=O)Nc7ccccc7F)[C@@H](O[C@@H]7O[C@@H](COC(=O)Nc8ccccc8F)[C@@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@]5(C)C4C(=O)C[C@@]32C)O[C@]12CC[C@@H](C)CO2
    InChI
    InChI=1S/C53H70F2N2O16/c1-25-15-18-53(68-22-25)26(2)39-36(73-53)20-30-29-14-13-27-19-28(16-17-51(27,3)40(29)35(58)21-52(30,39)4)69-47-45(63)43(61)46(38(71-47)24-67-50(65)57-34-12-8-6-10-32(34)55)72-48-44(62)42(60)41(59)37(70-48)23-66-49(64)56-33-11-7-5-9-31(33)54/h5-12,25-30,36-48,59-63H,13-24H2,1-4H3,(H,56,64)(H,57,65)/t25-,26+,27+,28+,29?,30?,36?,37+,38+,39?,40?,41-,42+,43-,44+,45+,46-,47-,48+,51+,52+,53-/m1/s1
    MOLECULAR FORMULA
    C53H70F2N2O16
    CROSS REFERENCES
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    canSAR1151602

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1028.47
    AlogP 5.41
    HBond donors 7
    HBond acceptors 18
    Atoms 143
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1151602.