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canSAR563637
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](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](OP(=O)(O)O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C47H52NO17P/c1-25-31(62-43(55)37(65-66(57,58)59)35(28-16-10-7-11-17-28)48-41(53)29-18-12-8-13-19-29)23-47(56)40(63-42(54)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-60-33)64-27(3)50)39(52)36(61-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51,56H,22-24H2,1-6H3,(H,48,53)(H2,57,58,59)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
    MOLECULAR FORMULA
    C47H52NO17P
    CROSS REFERENCES
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    canSAR563637

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 933.30
    AlogP 3.85
    HBond donors 5
    HBond acceptors 18
    Atoms 118
    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 canSAR563637.