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canSAR779120
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)C2CCCC2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
    InChI
    InChI=1S/C47H73ClN2O11/c1-13-36-47(10)40(50(45(55)61-47)23-22-32-18-20-34(48)21-19-32)29(6)37(51)27(4)25-46(9,56-12)41(60-44-38(52)35(24-28(5)57-44)49(11)26(2)3)30(7)39(31(8)42(53)58-36)59-43(54)33-16-14-15-17-33/h18-21,26-31,33,35-36,38-41,44,52H,13-17,22-25H2,1-12H3/t27-,28-,29+,30+,31-,35+,36-,38-,39+,40-,41-,44?,46+,47-/m1/s1
    MOLECULAR FORMULA
    C47H73ClN2O11
    CROSS REFERENCES
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    canSAR779120

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 876.49
    AlogP 7.40
    HBond donors 1
    HBond acceptors 13
    Atoms 134
    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 canSAR779120.