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canSAR833480
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[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/C51H81ClN2O13/c1-14-38-51(10)43(54(48(59)67-51)24-23-34-19-21-35(52)22-20-34)30(4)40(55)28(2)26-50(9,61-13)45(66-47-41(56)37(25-29(3)62-47)53(11)36-17-15-16-18-36)31(5)42(32(6)46(58)64-38)65-39-27-49(8,60-12)44(57)33(7)63-39/h19-22,28-33,36-39,41-45,47,56-57H,14-18,23-27H2,1-13H3/t28-,29-,30+,31+,32-,33+,37+,38-,39?,41-,42+,43-,44+,45-,47?,49-,50+,51-/m1/s1
    MOLECULAR FORMULA
    C51H81ClN2O13
    CROSS REFERENCES
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    canSAR833480

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 964.54
    AlogP 7.12
    HBond donors 2
    HBond acceptors 15
    Atoms 148
    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 canSAR833480.