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canSAR833972
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CCCC(N)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C52H58N2O16/c1-28-34(67-48(63)41(59)40(31-17-10-7-11-18-31)54-46(61)32-19-12-8-13-20-32)26-52(64)45(69-47(62)33-21-14-9-15-22-33)43-50(6,44(60)42(66-29(2)55)39(28)49(52,4)5)35(68-38(58)24-16-23-37(53)57)25-36-51(43,27-65-36)70-30(3)56/h7-15,17-22,34-36,40-43,45,59,64H,16,23-27H2,1-6H3,(H2,53,57)(H,54,61)/t34-,35-,36+,40-,41+,42+,43-,45-,50+,51-,52+/m0/s1
    MOLECULAR FORMULA
    C52H58N2O16
    CROSS REFERENCES
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    canSAR833972

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 966.38
    AlogP 3.94
    HBond donors 5
    HBond acceptors 18
    Atoms 128
    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 canSAR833972.